Summary

IMPPAT Phytochemical identifier: IMPHY005046

Phytochemical name: beta-Vetivene

Synonymous chemical names:
beta-vetivene, β-vetivene

External chemical identifiers:
CID:529892, SureChEMBL:SCHEMBL19328286

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Chemical structure information

SMILES:
CC(C1CC2C(C1)C1CCC(C2=C)C1)C

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

InChIKey:
DFUVGLKCFAASAU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5)CCCCC7=C))C5)))))))))C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCC(C2)C2CCCC12

Scaffold Graph/Node level:
CC1C2CCC(C2)C2CCCC12

Scaffold Graph level:
CC1C2CCC(C2)C2CCCC12

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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: Guaiane sesquiterpenoids

NP-Likeness score: 1.964

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Chemical structure download