NP-MRD: Showing NP-Card for Liriopesides B (NP0140519)

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Record Information

Version

1.0

Created at

2022-06-29 21:38:20 UTC

Updated at

2022-06-29 21:38:20 UTC

NP-MRD ID

NP0140519

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Liriopesides B

Description

Liriopesides B belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. It was first documented in 2017 (PMID: 28449586). Based on a literature review a small amount of articles have been published on Liriopesides B (PMID: 33241331) (PMID: 32705266) (PMID: 32582970).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306292223382D          

 51 58  0  0  1  0            999 V2000
    8.5863    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7723    0.2787    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2494   -0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353   -0.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1441    0.5463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5574   -0.0337    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8245    0.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9582    1.1592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7738    1.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2253    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    0.9580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0089    0.2207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5556   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617    0.3166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8150    1.0059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4447    1.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678    1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    0.3646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0848   -0.3247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2611   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    0.4604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3442    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9327    0.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    1.2456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1266    1.2936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4969    2.0308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0436    2.7201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2200    2.6721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8497    1.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667    3.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    3.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3205    2.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800    0.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4550   -1.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0017   -1.7513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3720   -2.4885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9187   -3.1778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0951   -3.1298    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2752   -2.3926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1781   -1.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988   -2.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -3.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890   -3.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -2.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6670    1.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4811    1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  5  9  1  6  0  0  0
  8 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  6  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 30 32  1  6  0  0  0
 29 33  1  1  0  0  0
 28 34  1  6  0  0  0
 27 35  1  6  0  0  0
 21 36  1  6  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 37 42  1  0  0  0  0
 41 43  1  1  0  0  0
 40 44  1  1  0  0  0
 39 45  1  1  0  0  0
 38 46  1  6  0  0  0
 20 47  1  6  0  0  0
 12 48  1  6  0  0  0
  6 49  1  1  0  0  0
  5 50  1  0  0  0  0
 50 51  1  0  0  0  0
  2 51  1  0  0  0  0
M  END

     RDKit          3D

113120  0  0  0  0  0  0  0  0999 V2000
   10.2009    0.9424   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2567    0.6551   -1.4572 C   0  0  1  0  0  0  0  0  0  0  0  0
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  7 60  1  0
  7 61  1  0
M  END


  Mrv1652306292223382D          

 51 58  0  0  1  0            999 V2000
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   -0.9327    0.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1266    1.2936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4969    2.0308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.8497    1.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2752   -2.3926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1781   -1.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988   -2.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -3.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
 11 10  1  6  0  0  0
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 29 30  1  0  0  0  0
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 29 33  1  1  0  0  0
 28 34  1  6  0  0  0
 27 35  1  6  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 37 42  1  0  0  0  0
 41 43  1  1  0  0  0
 40 44  1  1  0  0  0
 39 45  1  1  0  0  0
 38 46  1  6  0  0  0
 20 47  1  6  0  0  0
 12 48  1  6  0  0  0
  6 49  1  1  0  0  0
  5 50  1  0  0  0  0
 50 51  1  0  0  0  0
  2 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0140519

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](C[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1

> <INCHI_IDENTIFIER>
InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(49-35-33(44)31(42)29(40)19(3)47-35)14-27(38(21,6)24(23)10-11-37(25,28)5)50-36-34(45)32(43)30(41)20(4)48-36/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18-,19-,20+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+/m0/s1

> <INCHI_KEY>
RMIQIULKBBCLIL-KJXSMTROSA-N

> <FORMULA>
C39H62O12

> <MOLECULAR_WEIGHT>
722.913

> <EXACT_MASS>
722.424127436

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0      16.028   0.271   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.508   0.520   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.532  -0.671   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.013  -0.421   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.469   1.020   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.374  -0.063   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.006   0.644   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.255   2.164   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.778   2.396   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       7.887   2.871   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.792   1.788   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.483   0.412   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.637  -0.875   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.100  -0.785   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.408   0.591   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.255   1.878   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.563   3.254   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.026   3.343   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.180   2.057   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.871   0.681   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.025  -0.606   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.487  -0.517   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.204   0.859   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.642   2.146   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.741   0.949   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.432   2.325   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.970   2.415   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.661   3.791   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.815   5.077   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.277   4.988   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.586   3.612   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.431   6.275   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.506   6.454   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -6.198   3.880   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.816   1.128   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.716  -1.982   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.870  -3.269   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.561  -4.645   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.715  -5.932   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.177  -5.842   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.514  -4.466   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       0.332  -3.180   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -2.051  -4.377   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -0.669  -7.129   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       2.406  -7.308   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       4.098  -4.735   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       3.562  -0.696   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       8.315  -0.884   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      10.606  -1.585   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      12.445   2.211   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      13.965   1.961   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   51                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9   50                                             
CONECT    6    5    7   49                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8    5                                                       
CONECT   10    8   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11    7   13   48                                             
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   11   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   15   21   47                                             
CONECT   21   20   22   36                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23   19                                                       
CONECT   25   23   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28   35                                                  
CONECT   28   27   29   34                                                  
CONECT   29   28   30   33                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30   26                                                       
CONECT   32   30                                                            
CONECT   33   29                                                            
CONECT   34   28                                                            
CONECT   35   27                                                            
CONECT   36   21   37                                                       
CONECT   37   36   38   42                                                  
CONECT   38   37   39   46                                                  
CONECT   39   38   40   45                                                  
CONECT   40   39   41   44                                                  
CONECT   41   40   42   43                                                  
CONECT   42   41   37                                                       
CONECT   43   41                                                            
CONECT   44   40                                                            
CONECT   45   39                                                            
CONECT   46   38                                                            
CONECT   47   20                                                            
CONECT   48   12                                                            
CONECT   49    6                                                            
CONECT   50    5   51                                                       
CONECT   51   50    2                                                       
MASTER        0    0    0    0    0    0    0    0   51    0  116    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₉H₆₂O₁₂

Average Mass

722.9130 Da

Monoisotopic Mass

722.42413 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](C[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1

InChI Identifier

InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(49-35-33(44)31(42)29(40)19(3)47-35)14-27(38(21,6)24(23)10-11-37(25,28)5)50-36-34(45)32(43)30(41)20(4)48-36/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18-,19-,20+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+/m0/s1

InChI Key

RMIQIULKBBCLIL-KJXSMTROSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroidal saponins

Alternative Parents

Substituents

Steroidal saponin
Triterpenoid
Spirostane skeleton
Delta-5-steroid
Glycosyl compound
O-glycosyl compound
Ketal
Monosaccharide
Oxane
Tetrahydrofuran
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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

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

10259376

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21630160

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Luo H, Ming LS, Tong TT, Tang Y, Yang J, Shen L, Cui H, Yang A, Huang H: Chemical Comparison of Ophiopogonis radix and Liriopes radix Based on Quantitative Analysis of Multiple Components by HPLC Coupled with Electrospray Ionization Tandem Triple Quadrupole Mass Spectrometry. J AOAC Int. 2020 Jul 1;103(4):1148-1159. doi: 10.1093/jaoacint/qsaa010. [PubMed:33241331 ]
Sheng H, Lv W, Zhu L, Wang L, Wang Z, Han J, Hu J: Liriopesides B induces apoptosis and cell cycle arrest in human nonsmall cell lung cancer cells. Int J Mol Med. 2020 Sep;46(3):1039-1050. doi: 10.3892/ijmm.2020.4645. Epub 2020 Jun 16. [PubMed:32705266 ]
Yu H, Wang H, Yin Y, Wang Z: Liriopesides B from Liriope spicata var. prolifera inhibits metastasis and induces apoptosis in A2780 human ovarian cancer cells. Mol Med Rep. 2020 Sep;22(3):1747-1758. doi: 10.3892/mmr.2020.11256. Epub 2020 Jun 18. [PubMed:32582970 ]
Wang H, Yu H, Sun Y, Zhao H, Guo Z, Yu B: Liriopesides B inhibited cell growth and decreased CA125 level in human ovarian cancer A2780 cells. Nat Prod Res. 2017 Sep;31(18):2198-2202. doi: 10.1080/14786419.2017.1320788. Epub 2017 Apr 27. [PubMed:28449586 ]

Showing NP-Card for Liriopesides B (NP0140519)

MOL for NP0140519 (Liriopesides B)

3D MOL for NP0140519 (Liriopesides B)

3D SDF for NP0140519 (Liriopesides B)

3D-SDF for NP0140519 (Liriopesides B)

PDB for NP0140519 (Liriopesides B)

3D PDB for NP0140519 (Liriopesides B)

SMILES for NP0140519 (Liriopesides B)

INCHI for NP0140519 (Liriopesides B)

Structure for NP0140519 (Liriopesides B)

3D Structure for NP0140519 (Liriopesides B)