Summary

IMPPAT Phytochemical identifier: IMPHY009144

Phytochemical name: Sebiferic acid

Synonymous chemical names:
sebiferic acid

External chemical identifiers:
CID:5321206

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Chemical structure information

SMILES:
OC(=O)CCC1(C)C(CCC2(C1CCC1C2(C)CCC2C1(C)CCC2C(=C)C)C)C(=C)C

InChI:
InChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)

InChIKey:
STWHPCOPDBFRNW-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCC)CCCCC6CCCC6C)CCCC6C)CCC5C=C)C))))))))))))))C))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Steroid acids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Dammarane and Protostane triterpenoids

NP-Likeness score: 2.493

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Chemical structure download