NP-MRD: Showing NP-Card for α-copaene (NP0283848)

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Record Information

Version

1.0

Created at

2022-09-09 11:17:06 UTC

Updated at

2022-09-09 11:17:06 UTC

NP-MRD ID

NP0283848

Secondary Accession Numbers

None

Natural Product Identification

Common Name

α-copaene

Description

Copaene, also known as alpha-copaene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. α-copaene is found in Abies nordmanniana, Abies sibirica, Achillea millefolium, Achyrospermum africanum, Acorus gramineus, Aframomum melegueta, Ageratum conyzoides, Ajuga chamaepitys, Aloysia citrodora, Alpinia chinensis, Alpinia conchigera, Alpinia galanga, Alpinia latilabris, Alpinia zerumbet, Ananas comosus, Angelica archangelica, Annona reticulata, Araucaria bidwillii, Aristolochia elegans, Artemisia afra, Artemisia annua, Artemisia arborescens, Artemisia herba-alba, Artemisia salsoloides, Artemisia sericea, Artemisia vulgaris, Arum maculatum, Asarum gusk, Asarum megacalyx, Aster scaber, Atalantia buxifolia, Austrobaileya scandens, Austromyrtus dulcis, Azadirachta indica, Baccharis dracunculifolia, Bellis perennis, Boswellia serrata, Bupleurum acutifolium, Bupleurum gibraltaricum, Cananga odorata, Cannabis sativa, Cantinoa mutabilis, Cassinia laevis, Cecropia pachystachya, Cedrela fissilis, Cedrela odorata, Centaurea solstitialis, Centratherum punctatum, Chromolaena odorata, Cinnamomum camphora, Cinnamomum parthenoxylon, Cinnamomum sieboldii, Cistus creticus, Cistus monspeliensis, Citrus maxima, Citrus paradisi, Citrus reticulata, Cleistopholis patens, Cleonia lusitanica, Clinopodium serpyllifolium, Commiphora gurreh, Commiphora kataf, Commiphora myrrha, Copaifera langsdorffii, Copaifera multijuga, Cotinus coggygria, Croton conduplicatus, Cryptocarya cunninghamii, Cryptomeria japonica, Curcuma pierreana, Cyperus alopecuroides, Cyperus rotundus, Dacrydium nausoriense, Daniellia oliveri, Daphne genkwa, Daphne papyracea, Dendropanax trifidus, Elsholtzia fruticosa, Entandrophragma cylindricum, Eremanthus arboreus, Erigeron philadelphicus, Eucalyptus brassiana, Eucalyptus cloeziana, Eucalyptus fasciculosa, Eucalyptus globulus, Eucalyptus nova-anglica, Eucalyptus tetraptera, Eugenia dysenterica, Garcinia mangostana, Gossypium hirsutum, Grangea maderaspatana, Grindelia pulchella, Haplopappus uncinatus, Helichrysum italicum, Helichrysum odoratissimum, Helichrysum stoechas, Heracleum dissectum, Homalomena occulta, Humulus lupulus, Hypericum rumeliacum, Mesosphaerum suaveolens, Illicium verum, Juniperus communis, Juniperus excelsa, Juniperus oxycedrus, Keteleeria davidiana, Lantana camara, Larix gmelinii, Larix kaempferi, Larix sibirica, Lavandula angustifolia, Lavandula stoechas, Lentinellus cochleatus, Leonotis leonurus, Lepechinia chamaedryoides, Lepechinia urbanii, Lepidozia fauriana, Leplaea cedrata, Leptospermum scoparium, Ligusticum sinense, Liquidambar styraciflua, Mangifera indica, Marrubium parviflorum, Marsypianthes chamaedrys, Melissa officinalis, Mentha aquatica, Mentha suaveolens, Micromeria cristata, Micromeria maderensis, Micromeria myrtifolia, Micromeria sinaica, Mikania cordifolia, Monocyclanthus vignei, Montanoa tomentosa, Morina persica, Mosla cavaleriei, Myrtus communis, Nepeta nuda, Nepeta racemosa, Ocimum basilicum, Ocimum gratissimum, Ophrys sphegodes, Origanum cordifolium, Origanum dictamnus, Origanum hypericifolium, Origanum majorana, Paullinia cupana, Pectis brevipedunculata, Pelargonium citronellum, Pelargonium endlicherianum, Pelargonium quercifolium, Perilla frutescens, Persea americana, Petroselinum crispum, Phlomis lanata, Phyla dulcis, Pilocarpus pauciflorus, Pimenta racemosa, Pinus albicaulis, Pinus heldreichii, Pinus pinaster, Pinus sylvestris, Piper aduncum, Piper auritum, Piper cernuum, Piper fimbriulatum, Piper gaudichaudianum, Piper guineense, Piper marginatum, Pittosporum balfourii, Platostoma africanum, Polygala senega, Populus alba, Protium heptaphyllum, Prumnopitys andina, Prumnopitys ferruginoides, Psidium guajava, Ptychopetalum olacoides, Pycnanthemum floridanum, Rhanterium epapposum, Rhaponticum carthamoides, Salvia absconditiflora, Salvia caespitosa, Salvia cinnabarina, Salvia cuspidata, Salvia dorisiana, Salvia officinalis, Salvia sclarea, Salvia vermifolia, Santolina chamaecyparissus, Santolina corsica, Sassafras albidum, Scandix australis, Schinus molle, Sideritis athoa, Sideritis montana, Sideritis tragoriganum, Solanum stuckertii, Solanum tuberosum, Solidago canadensis, Spondias mombin, Stachys aegyptiaca, Stevia rebaudiana, Stoebe vulgaris, Swertia japonica, Syzygium aromaticum, Syzygium cumini, Syzygium nervosum, Tagetes lucida, Tagetes minuta, Tamarindus indica, Tambourissa leptophylla, Tanacetum millefolium, Tanacetum parthenium, Tanacetum vulgare, Tasmannia lanceolata, Tessaria fastigiata, Teucrium kotschyanum, Teucrium polium, Teucrium sandrasicum, Teucrium scorodonia, Thujopsis dolabrata, Thulinella chrysantha, Thymus vulgaris, Thymus zygioides, Tordylium apulum, Uvaria chamae, Valeriana jatamansi, Valeriana officinalis, Virola surinamensis, Vitex negundo, Warburgia stuhlmannii, Xylopia aethiopica, Zanthoxylum zanthoxyloides, Zea mays and Zingiber officinale. Copaene is possibly neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
   -2.6685   -1.2510    2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004   -0.7245    0.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957   -0.8898   -0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802   -0.3380   -1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7881    0.3344   -1.0827 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0468   -0.5316   -0.1466 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8238    0.0180    0.9895 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9953    1.2480    0.1245 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3139    1.9194    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    2.1653    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845    1.4724   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4228   -0.0208    0.0590 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4407   -0.7092   -0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163   -0.1776   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626   -2.1848   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020   -2.3117    2.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3555   -0.6794    3.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7972   -1.2320    2.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -1.4281   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507    0.3139   -2.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326   -1.2096   -2.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    0.8092   -1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1008   -1.5788   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3224    0.1495    1.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307    1.9559   -0.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712    2.9710    0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9959    1.3537    0.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2100    2.7395    1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    2.9277   -0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    1.9245    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8499    1.6622   -1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314   -0.2431    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2381   -0.4491   -1.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5626   -0.9660   -0.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8379   -0.1022    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887    0.7359   -0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3739   -2.2909    0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833   -2.7227   -0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636   -2.6593   -0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 15  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  8  1  0
  8  9  1  6
  8  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2  7  1  0
  7  6  1  0
  6 12  1  0
  7  8  1  0
  6  5  1  0
 14 34  1  0
 14 35  1  0
 14 36  1  0
 13 33  1  0
 15 37  1  0
 15 38  1  0
 15 39  1  0
 12 32  1  1
 11 30  1  0
 11 31  1  0
 10 28  1  0
 10 29  1  0
  9 25  1  0
  9 26  1  0
  9 27  1  0
  5 22  1  6
  4 20  1  0
  4 21  1  0
  3 19  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  7 24  1  1
  6 23  1  6
M  END


  Mrv1533004161505442D          

 15 17  0  0  0  0            999 V2000
    0.7614   -2.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863   -1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6415   -0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0090    0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5116    0.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476   -0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -0.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111   -0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799    0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036   -0.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7348   -0.8298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0283848

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CCC2(C)C3CC=C(C)C2C13

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3

> <INCHI_KEY>
VLXDPFLIRFYIME-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.107683545000604

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene

> <ALOGPS_LOGP>
3.75

> <JCHEM_LOGP>
4.0881301626666655

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.7679

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.81e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-COPAENE

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       1.421  -4.116   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.809  -2.703   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.721  -2.527   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.726  -1.466   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.197  -0.016   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.258   1.156   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.750   0.579   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.688   1.800   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.569  -1.335   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.167  -1.492   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.741  -0.090   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.562   1.042   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.561   2.582   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.300  -0.176   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.238  -1.549   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   14                                             
CONECT    8    7                                                            
CONECT    9    7   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    7   15                                                  
CONECT   15   14    4    9                                                  
MASTER        0    0    0    0    0    0    0    0   15    0   34    0
END

View in JSmol

Synonyms

Value	Source
alpha-Copaene	MeSH

Chemical Formula

C₁₅H₂₄

Average Mass

204.3570 Da

Monoisotopic Mass

204.18780 Da

IUPAC Name

1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene

Traditional Name

α-COPAENE

CAS Registry Number

Not Available

SMILES

CC(C)C1CCC2(C)C3CC=C(C)C2C13

InChI Identifier

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3

InChI Key

VLXDPFLIRFYIME-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abies nordmanniana	LOTUS Database	35616633
Abies sibirica	LOTUS Database	35616633
Achillea millefolium	LOTUS Database	35616633
Achyrospermum africanum	LOTUS Database	35616633
Acorus gramineus	LOTUS Database	35616633
Aframomum melegueta	LOTUS Database	35616633
Ageratum conyzoides	LOTUS Database	35616633
Ajuga chamaepitys	LOTUS Database	35616633
Aloysia citrodora	LOTUS Database	35616633
Alpinia chinensis	LOTUS Database	35616633
Alpinia conchigera	LOTUS Database	35616633
Alpinia galanga	LOTUS Database	35616633
Alpinia latilabris	LOTUS Database	35616633
Alpinia zerumbet	LOTUS Database	35616633
Ananas comosus	LOTUS Database	35616633
Angelica archangelica	LOTUS Database	35616633
Annona reticulata	LOTUS Database	35616633
Araucaria bidwillii	LOTUS Database	35616633
Aristolochia elegans	LOTUS Database	35616633
Artemisia afra	LOTUS Database	35616633
Artemisia annua	LOTUS Database	35616633
Artemisia arborescens	LOTUS Database	35616633
Artemisia herba-alba	LOTUS Database	35616633
Artemisia salsoloides	LOTUS Database	35616633
Artemisia sericea	LOTUS Database	35616633
Artemisia vulgaris	LOTUS Database	35616633
Arum maculatum	LOTUS Database	35616633
Asarum gusk	LOTUS Database	35616633
Asarum megacalyx	LOTUS Database	35616633
Aster scaber	LOTUS Database	35616633
Atalantia buxifolia	LOTUS Database	35616633
Austrobaileya scandens	LOTUS Database	35616633
Austromyrtus dulcis	LOTUS Database	35616633
Azadirachta indica	LOTUS Database	35616633
Baccharis dracunculifolia	LOTUS Database	35616633
Bellis perennis	LOTUS Database	35616633
Boswellia serrata	LOTUS Database	35616633
Bupleurum acutifolium	LOTUS Database	35616633
Bupleurum gibraltaricum	LOTUS Database	35616633
Cananga odorata	LOTUS Database	35616633
Cannabis sativa	LOTUS Database	35616633
Cantinoa mutabilis	LOTUS Database	35616633
Cassinia laevis	LOTUS Database	35616633
Cecropia pachystachya	LOTUS Database	35616633
Cedrela fissilis	LOTUS Database	35616633
Cedrela odorata	LOTUS Database	35616633
Centaurea solstitialis	LOTUS Database	35616633
Centratherum punctatum	LOTUS Database	35616633
Chromolaena odorata	LOTUS Database	35616633
Cinnamomum camphora	LOTUS Database	35616633
Cinnamomum parthenoxylon	LOTUS Database	35616633
Cinnamomum sieboldii	LOTUS Database	35616633
Cistus creticus	LOTUS Database	35616633
Cistus monspeliensis	LOTUS Database	35616633
Citrus maxima	LOTUS Database	35616633
Citrus paradisi	LOTUS Database	35616633
Citrus reticulata	LOTUS Database	35616633
Cleistopholis patens	LOTUS Database	35616633
Cleonia lusitanica	LOTUS Database	35616633
Clinopodium serpyllifolium	LOTUS Database	35616633
Commiphora gurreh	LOTUS Database	35616633
Commiphora kataf	LOTUS Database	35616633
Commiphora myrrha	LOTUS Database	35616633
Copaifera langsdorffii	LOTUS Database	35616633
Copaifera multijuga	LOTUS Database	35616633
Cotinus coggygria	LOTUS Database	35616633
Croton conduplicatus	LOTUS Database	35616633
Cryptocarya cunninghamii	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Curcuma pierreana	LOTUS Database	35616633
Cyperus alopecuroides	LOTUS Database	35616633
Cyperus rotundus	LOTUS Database	35616633
Dacrydium nausoriense	LOTUS Database	35616633
Daniellia oliveri	LOTUS Database	35616633
Daphne genkwa	LOTUS Database	35616633
Daphne papyracea	LOTUS Database	35616633
Dendropanax trifidus	LOTUS Database	35616633
Elsholtzia fruticosa	LOTUS Database	35616633
Entandrophragma cylindricum	LOTUS Database	35616633
Eremanthus arboreus	LOTUS Database	35616633
Erigeron philadelphicus	LOTUS Database	35616633
Eucalyptus brassiana	LOTUS Database	35616633
Eucalyptus cloeziana	LOTUS Database	35616633
Eucalyptus fasciculosa	LOTUS Database	35616633
Eucalyptus globulus	LOTUS Database	35616633
Eucalyptus nova-anglica	LOTUS Database	35616633
Eucalyptus tetraptera	LOTUS Database	35616633
Eugenia dysenterica	LOTUS Database	35616633
Garcinia mangostana	LOTUS Database	35616633
Gossypium hirsutum	LOTUS Database	35616633
Grangea maderaspatana	LOTUS Database	35616633
Grindelia pulchella	LOTUS Database	35616633
Haplopappus uncinatus	LOTUS Database	35616633
Helichrysum italicum	LOTUS Database	35616633
Helichrysum odoratissimum	LOTUS Database	35616633
Helichrysum stoechas	LOTUS Database	35616633
Heracleum dissectum	LOTUS Database	35616633
Homalomena occulta	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Hypericum rumeliacum	LOTUS Database	35616633
Hyptis suaveolens	LOTUS Database	35616633
Illicium verum	LOTUS Database	35616633
Juniperus communis	LOTUS Database	35616633
Juniperus excelsa	LOTUS Database	35616633
Juniperus oxycedrus	LOTUS Database	35616633
Keteleeria davidiana	LOTUS Database	35616633
Lantana camara	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Larix sibirica	LOTUS Database	35616633
Lavandula angustifolia	LOTUS Database	35616633
Lavandula stoechas	LOTUS Database	35616633
Lentinellus cochleatus	LOTUS Database	35616633
Leonotis leonurus	LOTUS Database	35616633
Lepechinia chamaedryoides	LOTUS Database	35616633
Lepechinia urbanii	LOTUS Database	35616633
Lepidozia fauriana	LOTUS Database	35616633
Leplaea cedrata	LOTUS Database	35616633
Leptospermum scoparium	LOTUS Database	35616633
Ligusticum sinense	LOTUS Database	35616633
Liquidambar styraciflua	LOTUS Database	35616633
Mangifera indica	LOTUS Database	35616633
Marrubium parviflorum	LOTUS Database	35616633
Marsypianthes chamaedrys	LOTUS Database	35616633
Melissa officinalis	LOTUS Database	35616633
Mentha aquatica	LOTUS Database	35616633
Mentha rotundifolia	LOTUS Database	35616633
Micromeria cristata	LOTUS Database	35616633
Micromeria maderensis	LOTUS Database	35616633
Micromeria myrtifolia	LOTUS Database	35616633
Micromeria sinaica	LOTUS Database	35616633
Mikania cordifolia	LOTUS Database	35616633
Monocyclanthus vignei	LOTUS Database	35616633
Montanoa tomentosa	LOTUS Database	35616633
Morina persica	LOTUS Database	35616633
Mosla cavaleriei	LOTUS Database	35616633
Myrtus communis	LOTUS Database	35616633
Nepeta nuda	LOTUS Database	35616633
Nepeta racemosa	LOTUS Database	35616633
Ocimum basilicum	LOTUS Database	35616633
Ocimum gratissimum	LOTUS Database	35616633
Ophrys sphegodes	LOTUS Database	35616633
Origanum cordifolium	LOTUS Database	35616633
Origanum dictamnus	LOTUS Database	35616633
Origanum hypericifolium	LOTUS Database	35616633
Origanum majorana	LOTUS Database	35616633
Paullinia cupana	LOTUS Database	35616633
Pectis brevipedunculata	LOTUS Database	35616633
Pelargonium citronellum	LOTUS Database	35616633
Pelargonium endlicherianum	LOTUS Database	35616633
Pelargonium quercifolium	LOTUS Database	35616633
Perilla frutescens	LOTUS Database	35616633
Persea americana	LOTUS Database	35616633
Petroselinum crispum	LOTUS Database	35616633
Phlomis lanata	LOTUS Database	35616633
Phyla dulcis	LOTUS Database	35616633
Pilocarpus pauciflorus	LOTUS Database	35616633
Pimenta racemosa	LOTUS Database	35616633
Pinus albicaulis	LOTUS Database	35616633
Pinus heldreichii	LOTUS Database	35616633
Pinus pinaster	LOTUS Database	35616633
Pinus sylvestris	LOTUS Database	35616633
Piper aduncum	LOTUS Database	35616633
Piper auritum	LOTUS Database	35616633
Piper cernuum	LOTUS Database	35616633
Piper fimbriulatum	LOTUS Database	35616633
Piper gaudichaudianum	LOTUS Database	35616633
Piper guineense	LOTUS Database	35616633
Piper marginatum	LOTUS Database	35616633
Pittosporum balfourii	LOTUS Database	35616633
Platostoma africanum	LOTUS Database	35616633
Polygala senega	LOTUS Database	35616633
Populus alba	LOTUS Database	35616633
Protium heptaphyllum	LOTUS Database	35616633
Prumnopitys andina	LOTUS Database	35616633
Prumnopitys ferruginoides	LOTUS Database	35616633
Psidium guajava	LOTUS Database	35616633
Ptychopetalum olacoides	LOTUS Database	35616633
Pycnanthemum floridanum	LOTUS Database	35616633
Rhanterium epapposum	LOTUS Database	35616633
Rhaponticum carthamoides	LOTUS Database	35616633
Salvia absconditiflora	LOTUS Database	35616633
Salvia caespitosa	LOTUS Database	35616633
Salvia cinnabarina	LOTUS Database	35616633
Salvia cuspidata	LOTUS Database	35616633
Salvia dorisiana	LOTUS Database	35616633
Salvia officinalis	LOTUS Database	35616633
Salvia sclarea	LOTUS Database	35616633
Salvia vermifolia	LOTUS Database	35616633
Santolina chamaecyparissus	LOTUS Database	35616633
Santolina corsica	LOTUS Database	35616633
Sassafras albidum	LOTUS Database	35616633
Scandix australis	LOTUS Database	35616633
Schinus molle	LOTUS Database	35616633
Sideritis athoa	LOTUS Database	35616633
Sideritis montana	LOTUS Database	35616633
Sideritis tragoriganum	LOTUS Database	35616633
Solanum stuckertii	LOTUS Database	35616633
Solanum tuberosum	LOTUS Database	35616633
Solidago canadensis	LOTUS Database	35616633
Spondias mombin	LOTUS Database	35616633
Stachys aegyptiaca	LOTUS Database	35616633
Stevia rebaudiana	LOTUS Database	35616633
Stoebe vulgaris	LOTUS Database	35616633
Swertia japonica	LOTUS Database	35616633
Syzygium aromaticum	LOTUS Database	35616633
Syzygium cumini	LOTUS Database	35616633
Syzygium nervosum	LOTUS Database	35616633
Tagetes lucida	LOTUS Database	35616633
Tagetes minuta	LOTUS Database	35616633
Tamarindus indica	LOTUS Database	35616633
Tambourissa leptophylla	LOTUS Database	35616633
Tanacetum millefolium	LOTUS Database	35616633
Tanacetum parthenium	LOTUS Database	35616633
Tanacetum vulgare	LOTUS Database	35616633
Tasmannia lanceolata	LOTUS Database	35616633
Tessaria fastigiata	LOTUS Database	35616633
Teucrium kotschyanum	LOTUS Database	35616633
Teucrium polium	LOTUS Database	35616633
Teucrium sandrasicum	LOTUS Database	35616633
Teucrium scorodonia	LOTUS Database	35616633
Thujopsis dolabrata	LOTUS Database	35616633
Thulinella chrysantha	LOTUS Database	35616633
Thymus vulgaris	LOTUS Database	35616633
Thymus zygioides	LOTUS Database	35616633
Tordylium apulum	LOTUS Database	35616633
Uvaria chamae	LOTUS Database	35616633
Valeriana jatamansi	LOTUS Database	35616633
Valeriana officinalis	LOTUS Database	35616633
Virola surinamensis	LOTUS Database	35616633
Vitex negundo	LOTUS Database	35616633
Warburgia stuhlmannii	LOTUS Database	35616633
Xylopia aethiopica	LOTUS Database	35616633
Zanthoxylum zanthoxyloides	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633
Zingiber officinale	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Copaane sesquiterpenoid
Sesquiterpenoid
Branched unsaturated hydrocarbon
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

a sesquiterpenoid (CPD-8801 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.75	ALOGPS
logP	4.09	ChemAxon
logS	-5	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	65.77 m³·mol⁻¹	ChemAxon
Polarizability	26.11 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Copaene

METLIN ID

Not Available

PubChem Compound

19725

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for α-copaene (NP0283848)

MOL for NP0283848 (α-copaene)

3D MOL for NP0283848 (α-copaene)

3D SDF for NP0283848 (α-copaene)

3D-SDF for NP0283848 (α-copaene)

PDB for NP0283848 (α-copaene)

3D PDB for NP0283848 (α-copaene)

SMILES for NP0283848 (α-copaene)

INCHI for NP0283848 (α-copaene)

Structure for NP0283848 (α-copaene)

3D Structure for NP0283848 (α-copaene)