Summary

IMPPAT Phytochemical identifier: IMPHY017574

Phytochemical name: 7-Ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one

Synonymous chemical names:
13β-methyl-13-vinyl podocarp-7-en-3-one

External chemical identifiers:
CID:625348

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Chemical structure information

SMILES:
C=CC1(C)CCC2C(=CCC3C2(C)CCC(=O)C3(C)C)C1

InChI:
InChI=1S/C20H30O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6-7,15-16H,1,8-13H2,2-5H3

InChIKey:
YAXFLCDQLAZOPS-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCC=CCCC6C)CCC=O)C6C)C)))))))))C6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(CC=C3CCCCC32)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3CCCCC32)C1

Scaffold Graph level:
CC1CCC2C(CCC3CCCCC32)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Norpimarane and Norisopimarane diterpenoids, Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.812

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Chemical structure download