Summary

IMPPAT Phytochemical identifier: IMPHY014666

Phytochemical name: Momodicaursenol

Synonymous chemical names:
momordicaursenol

External chemical identifiers:
CID:131751695

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Chemical structure information

SMILES:
CC1CCC2(C(=C1C)C1=CCC3C(C1(CC2)C)(C)CCC1C3(C)CCC(C1(C)C)O)C

InChI:
InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19,22-24,31H,10-18H2,1-8H3

InChIKey:
LGVXVLHBYPSFGC-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C6C))C=CCCCC6CC%10))C))C)CCCC6C)CCCC6C)C))O))))))))))))))C

Functional groups:
CC=C(C)C(C)=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3=CCC4C5CCCCC5CCC4C3CCC2CCC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

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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: Ursane and Taraxastane triterpenoids

NP-Likeness score: 3.075

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Chemical structure download