Summary

IMPPAT Phytochemical identifier: IMPHY013710

Phytochemical name: Ginsenoside M7cd

Synonymous chemical names:
ginsenoside m7cd

External chemical identifiers:
CID:131752701

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Chemical structure information

SMILES:
OCC1OC(OC(C2CCC3(C2C(O)CC2C3(C)CC(C3C2(C)CCC(C3(C)C)O)O)C)(CCC(C(=C)C)O)C)C(C(C1O)O)O

InChI:
InChI=1S/C36H62O10/c1-18(2)20(38)10-14-36(8,46-31-29(44)28(43)27(42)23(17-37)45-31)19-9-13-34(6)26(19)21(39)15-24-33(5)12-11-25(41)32(3,4)30(33)22(40)16-35(24,34)7/h19-31,37-44H,1,9-17H2,2-8H3

InChIKey:
YWQANVSRCZLIRL-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCCCCC5CO)CCC6C)CCCC6C)CCCC6C)C))O))))))O))))))))C)))))CCCC=C)C))O))))C)))CCC6O))O))O

Functional groups:
C=C(C)C, CO, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OCC2CCC3C2CCC2C4CCCCC4CCC23)OC1

Scaffold Graph/Node level:
C1CCC(OCC2CCC3C2CCC2C4CCCCC4CCC23)OC1

Scaffold Graph level:
C1CCC(CCC2CCC3C2CCC2C4CCCCC4CCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Dammarane and Protostane triterpenoids

NP-Likeness score: 3.064

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Chemical structure download