Summary

IMPPAT Phytochemical identifier: IMPHY013081

Phytochemical name: Camelliagenin B

Synonymous chemical names:
camelliagenin b

External chemical identifiers:
CID:12302285

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Chemical structure information

SMILES:
O=CC1(C)C(O)CCC2(C1CCC1(C2CC=C2C1(C)CC(O)C1(C2CC(CC1O)(C)C)CO)C)C

InChI:
InChI=1S/C30H48O5/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/h7,16,19-24,32-35H,8-15,17H2,1-6H3

InChIKey:
RJEBVLDZINEMCO-UHFFFAOYSA-N

DeepSMILES:
O=CCC)CO)CCCC6CCCC6CC=CC6C)CCO)CC6CCCC6O)))C)C))))CO))))))))))C)))))C

Functional groups:
CC=C(C)C, CC=O, 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: 3.275

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Chemical structure download