Summary

IMPPAT Phytochemical identifier: IMPHY017101

Phytochemical name: (4aS,7S,8aS,10aS)-1,1,4a,7-Tetramethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthrene

Synonymous chemical names:
isopimar-9 (11),15-diene, isopimar-9(11),15-diene, isopimar-9(11)-15-diene, isopimara-9(11),15-diene

External chemical identifiers:
CID:14239488

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Chemical structure information

SMILES:
C=CC1(C)CC=C2C(C1)CCC1C2(C)CCCC1(C)C

InChI:
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,10,15,17H,1,7-9,11-14H2,2-5H3

InChIKey:
NIRMOOCHGJGPKG-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CC=CCC6)CCCC6C)CCCC6C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CCC1)CCC1CCCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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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: Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.393

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Chemical structure download