Summary

IMPPAT Phytochemical identifier: IMPHY013082

Phytochemical name: Camelliagenin C

Synonymous chemical names:
camelliagenin c

External chemical identifiers:
CID:12302286, ChEBI:173217

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Chemical structure information

SMILES:
OCC12C(O)CC(CC2C2=CCC3C(C2(CC1O)C)(C)CCC1C3(C)CCC(C1(C)CO)O)(C)C

InChI:
InChI=1S/C30H50O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,19-24,31-35H,8-17H2,1-6H3

InChIKey:
SPCSEMLFKVZFJN-UHFFFAOYSA-N

DeepSMILES:
OCCCO)CCCC6C=CCCCC6CC%14O)))C))C)CCCC6C)CCCC6C)CO)))O)))))))))))))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

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: Oleanane triterpenoids

NP-Likeness score: 3.008

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Chemical structure download