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Showing NP-Card for Indole-3-methyl acetate (NP0045455)

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Record Information
Version1.0
Created at2022-03-17 19:20:15 UTC
Updated at2022-03-17 19:20:15 UTC
NP-MRD IDNP0045455
Secondary Accession NumbersNone
Natural Product Identification
Common NameIndole-3-methyl acetate
DescriptionIndole-3-methyl acetate, also known as methyl 3-indolylacetate or methyl b-indoleacetic acid, belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-methyl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Indole-3-methyl acetate has been detected, but not quantified in, several different foods, such as japanese chestnuts, japanese persimmons, sweet oranges, gram beans, and common grapes. This could make indole-3-methyl acetate a potential biomarker for the consumption of these foods. Indole-3-methyl acetate is found in Brassica oleracea , Chamaecyparis lawsoniana, Citrus reticulata, Citrus unshiu , Cotinus coggygria, Dalbergia dolichopetala, Euphorbia escula, Glycine soja , Homo Sapiens, Lathyrus maritimus, Lygodium flexuosum , Nicotiana tabacum , Panax ginseng , Picea abies , Picea sitchensis , Pinus contorta , Pinus slyvestris, Pseudomonas amygdali, Pseudomonas savastanoi, Pseudotsuga menziesii, Quercus robur , Rhizopus suinus, Ricinus communis , Saccharomyces cerevisiae , Solanum lycopersicum , Vicia amurensis and Vigna unguiculata var. sesquipedalis . It was first documented in 1980 (PMID: 7378938). The methyl ester of indole-3-acetic acid (PMID: 12897246) (PMID: 17172432).
Structure
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MOL3D MOLSDFPDBSMILESInChI

MOL for NP0045455 (Indole-3-methyl acetate)


  Mrv1652301282019172D          

 14 15  0  0  0  0            999 V2000
 9997.0764 9999.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8215 9998.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3735 9998.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1805 9998.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.295810000.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8834 9999.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4354 9998.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1891 9999.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.102810000.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9036 9998.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6180 9999.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3324 9998.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.617910000.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.0469 9999.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4  7  1  0  0  0  0
  6  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
Download

3D MOL for NP0045455 (Indole-3-methyl acetate)

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -4.6523    0.2898    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5192   -0.3604   -0.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691   -0.4084    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1119    0.1492    1.6292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1627   -1.1615   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564   -0.2673   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484    0.8796   -1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307    1.4951   -1.3910 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488    0.8410   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    1.0211   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9938    0.1268    0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3397   -0.9579    0.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0151   -1.1280    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2388   -0.2549   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2091    0.7611   -0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3908    1.1027    1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3688   -0.4263    0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844   -1.8542    0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5296   -1.8321   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908    1.1134   -1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676    2.3636   -1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8088    1.8660   -0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    0.2642    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793   -1.6504    1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101   -1.9722    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 14  2  0
 14 13  1  0
 13 12  2  0
 12 11  1  0
 11 10  2  0
 14  6  1  0
 10  9  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  5 19  1  0
  7 20  1  0
  8 21  1  0
 13 25  1  0
 12 24  1  0
 11 23  1  0
 10 22  1  0
M  END
Download

3D SDF for NP0045455 (Indole-3-methyl acetate)


  Mrv1652301282019172D          

 14 15  0  0  0  0            999 V2000
 9997.0764 9999.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8215 9998.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3735 9998.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1805 9998.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.295810000.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8834 9999.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4354 9998.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1891 9999.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.102810000.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9036 9998.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6180 9999.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3324 9998.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.617910000.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.0469 9999.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4  7  1  0  0  0  0
  6  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0045455

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)CC1=CNC2=C1C=CC=C2

> <INCHI_IDENTIFIER>
InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3

> <INCHI_KEY>
KTHADMDGDNYQRX-UHFFFAOYSA-N

> <FORMULA>
C11H11NO2

> <MOLECULAR_WEIGHT>
189.2105

> <EXACT_MASS>
189.078978601

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
19.777863703154345

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 2-(1H-indol-3-yl)acetate

> <ALOGPS_LOGP>
2.61

> <JCHEM_LOGP>
1.8556501543333335

> <ALOGPS_LOGS>
-2.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.044118914611719

> <JCHEM_PKA_STRONGEST_BASIC>
-7.0781988457999905

> <JCHEM_POLAR_SURFACE_AREA>
42.09

> <JCHEM_REFRACTIVITY>
53.2212

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.15e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 1H-indol-3-ylacetate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0045455 (Indole-3-methyl acetate)

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PDB for NP0045455 (Indole-3-methyl acetate)
HEADER    PROTEIN                                 28-JAN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-JAN-20         0                                  
HETATM    1  C   UNK     0    8661.2098665.593   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8660.7338664.128   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8661.7648662.984   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8663.2708663.304   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0    8663.4858667.247   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0    8662.7168665.913   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8663.7468664.769   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8665.1538665.395   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8664.9928666.927   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8666.4878664.625   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8667.8208665.395   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0    8669.1548664.625   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8667.8208666.935   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8670.4888665.395   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    7                                                       
CONECT    5    6    9                                                       
CONECT    6    7    5    1                                                  
CONECT    7    6    8    4                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8    5                                                       
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11   14                                                       
CONECT   13   11                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END

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3D PDB for NP0045455 (Indole-3-methyl acetate)
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SMILES for NP0045455 (Indole-3-methyl acetate)
COC(=O)CC1=CNC2=C1C=CC=C2
Download
INCHI for NP0045455 (Indole-3-methyl acetate)
InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
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View in JSmol
Synonyms
ValueSource
beta-Indolylacetic acid methyl esterChEBI
Indole-3-acetic acid, methyl esterChEBI
Methyl 3-indolylacetateChEBI
Methyl beta-indoleacetateChEBI
Methyl beta-indolylacetateChEBI
Methyl indol-3-ylacetateChEBI
b-Indolylacetate methyl esterGenerator
b-Indolylacetic acid methyl esterGenerator
beta-Indolylacetate methyl esterGenerator
Β-indolylacetate methyl esterGenerator
Β-indolylacetic acid methyl esterGenerator
Indole-3-acetate, methyl esterGenerator
Methyl 3-indolylacetic acidGenerator
Methyl b-indoleacetateGenerator
Methyl b-indoleacetic acidGenerator
Methyl beta-indoleacetic acidGenerator
Methyl β-indoleacetateGenerator
Methyl β-indoleacetic acidGenerator
Methyl b-indolylacetateGenerator
Methyl b-indolylacetic acidGenerator
Methyl beta-indolylacetic acidGenerator
Methyl β-indolylacetateGenerator
Methyl β-indolylacetic acidGenerator
Methyl indol-3-ylacetic acidGenerator
Indole-3-methyl acetic acidGenerator
1H-Indole-3-acetic acid, methyl esterHMDB
beta -Indolylacetic acid methyl esterHMDB
IAA methyl esterHMDB
Indole-3-acetic acid methyl esterHMDB
INDOLE-3-acetIC ACID methylesterHMDB
MeiaaHMDB
Methyl 1H-indol-3-ylacetateHMDB
Methyl 2-(1H-indol-3-yl)acetateHMDB
Methyl beta -indoleacetateHMDB
Methyl beta -indolylacetateHMDB
Methyl iaaHMDB
Methyl indole-3-acetateHMDB
Methylester OF 3-indoleacetic acidHMDB
Methyl (indol-3-yl)acetic acidGenerator
(1H-Indol-3-yl)acetic acid methyl esterHMDB
Indolyl-3-acetic acid methyl esterHMDB
Methyl 1H-indole-3-acetateHMDB
Methyl-IAAHMDB
Chemical FormulaC11H11NO2
Average Mass189.2105 Da
Monoisotopic Mass189.07898 Da
IUPAC Namemethyl 2-(1H-indol-3-yl)acetate
Traditional Namemethyl 1H-indol-3-ylacetate
CAS Registry Number1912-33-0
SMILES
COC(=O)CC1=CNC2=C1C=CC=C2
InChI Identifier
InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
InChI KeyKTHADMDGDNYQRX-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Brassica oleraceaPlant
Brassica oleracea var. botrytisFooDB
Castanea crenataFooDB
Chamaecyparis lawsonianaPlant
Citrus reticulataLOTUS Database
Citrus unshiuPlant
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Corylus avellanaFooDB
Cotinus coggygriaPlant
Dalbergia dolichopetalaPlant
Diospyros kakiFooDB
Euphorbia esculaPlant
Glycine sojaPlant
Homo sapiensAnimalia
Lablab purpureusFooDB
Lathyrus maritimusPlant
Lygodium flexuosumPlant
Malus pumilaFooDB
Nicotiana tabacumPlant
Panax ginsengPlant
Phaseolus vulgarisFooDB
Picea abiesPlant
Picea sitchensisPlant
Pinus contortaPlant
Pinus slyvestrisPlant
Pisum sativumFooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Pseudomonas amygdaliLOTUS Database
Pseudomonas savastanoiLOTUS Database
Pseudotsuga menziesiiPlant
Quercus roburPlant
Raphanus sativusFooDB
Rhizopus oryzaeFungi
Ricinus communisPlant
Saccharomyces cerevisiaeFungi
Solanum lycopersicumPlant
Solanum lycopersicum var. lycopersicumFooDB
Vicia amurensisPlant
Vigna mungoFooDB
Vigna unguiculata var. sesquipedalisPlant
Vitis vinifera L.FooDB
Zea mays L.FooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
KingdomOrganic compounds  
Super ClassOrganoheterocyclic compounds  
ClassIndoles and derivatives  
Sub ClassIndolyl carboxylic acids and derivatives  
Direct ParentIndole-3-acetic acid derivatives  
Alternative Parents
Substituents
  • Indole-3-acetic acid derivative
    • 

  • 3-alkylindole
    • 

  • Indole
    • 

  • Substituted pyrrole
    • 

  • Benzenoid
    • 

  • Heteroaromatic compound
    • 

  • Methyl ester
    • 

  • Pyrrole
    • 

  • Carboxylic acid ester
    • 

  • Azacycle
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Carboxylic acid derivative
    • 

  • Carbonyl group
    • 

  • Organopnictogen compound
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Organic oxygen compound
    • 

  • Organic nitrogen compound
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxide
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.61ALOGPS
logP1.86ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)15.04ChemAxon
pKa (Strongest Basic)-7.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area42.09 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity53.22 m³·mol⁻¹ChemAxon
Polarizability19.78 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0029738  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB000936  
KNApSAcK IDC00000101  
Chemspider ID67279  
KEGG Compound IDNot Available
BioCyc IDCPD-10546  
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74706  
PDB IDNot Available
ChEBI ID72782  
Good Scents IDNot Available
References
General References
  1. Jellet JJ, Forrest TP, Macdonald IA, Marrie TJ, Holdeman LV: Production of indole-3-propanoic acid and 3-(p-hydroxyphenyl)propanoic acid by Clostridium sporogenes: a convenient thin-layer chromatography detection system. Can J Microbiol. 1980 Apr;26(4):448-53. doi: 10.1139/m80-074. [PubMed:7378938  ] 
  2. Zubieta C, Ross JR, Koscheski P, Yang Y, Pichersky E, Noel JP: Structural basis for substrate recognition in the salicylic acid carboxyl methyltransferase family. Plant Cell. 2003 Aug;15(8):1704-16. doi: 10.1105/tpc.014548. [PubMed:12897246  ] 
  3. Zhang S, Li Z, Wu X, Huang Q, Shen HM, Ong CN: Methyl-3-indolylacetate inhibits cancer cell invasion by targeting the MEK1/2-ERK1/2 signaling pathway. Mol Cancer Ther. 2006 Dec;5(12):3285-93. doi: 10.1158/1535-7163.MCT-06-0240. [PubMed:17172432  ]