Summary

IMPPAT Phytochemical identifier: IMPHY002378

Phytochemical name: Euphorbinol

Synonymous chemical names:
euphorbinol

Chemical structure information

SMILES:
CC(C(=C)C)CCC(C1CCC2(C1(C)CCC1=C2CCC2C1(C)CCC(C2(C)C)O)C)C

InChI:
InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h21-23,26-27,32H,1,10-19H2,2-9H3

InChIKey:
COEAYBCRVYIVFL-UHFFFAOYSA-N

DeepSMILES:
CCC=C)C))CCCCCCCC5C)CCC=C6CCCC6C)CCCC6C)C))O)))))))))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

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: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 3.363

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Chemical structure download