Summary

IMPPAT Phytochemical identifier: IMPHY008879

Phytochemical name: gamma-Vetivene

Synonymous chemical names:
γ-vetivene

External chemical identifiers:
CID:91749683

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Chemical structure information

SMILES:
CC(C1CC2C(=C(C)[C@H]3C[C@@H]2CC3)C1)C

InChI:
InChI=1S/C15H24/c1-9(2)13-7-14-10(3)11-4-5-12(6-11)15(14)8-13/h9,11-13,15H,4-8H2,1-3H3/t11-,12+,13?,15?/m1/s1

InChIKey:
ZKHPUZPLMIENMT-ATAKMUTHSA-N

DeepSMILES:
CCCCCC=CC)[C@H]C[C@@H]6CC5))))))C5)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC2C2CCC1C2

Scaffold Graph/Node level:
C1CC2CC3CCC(C3)C2C1

Scaffold Graph level:
C1CC2CC3CCC(C3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.323

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Chemical structure download