Summary

IMPPAT Phytochemical identifier: IMPHY015513

Phytochemical name: Bicyclovetivenol

Synonymous chemical names:
bicyclo-vetivenol, bicyclovetivenol

External chemical identifiers:
CID:91748522

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Chemical structure information

SMILES:
C[C@H]1CCCC(=C)C2C1CC(C2)C(O)(C)C

InChI:
InChI=1S/C15H26O/c1-10-6-5-7-11(2)14-9-12(8-13(10)14)15(3,4)16/h11-14,16H,1,5-9H2,2-4H3/t11-,12?,13?,14?/m0/s1

InChIKey:
VCECLBDDLTXHHP-YWLNHKIPSA-N

DeepSMILES:
C[C@H]CCCC=C)CC7CCC5)CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC2CCCC12

Scaffold Graph/Node level:
CC1CCCCC2CCCC12

Scaffold Graph level:
CC1CCCCC2CCCC12

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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: Eudesmane sesquiterpenoids, Guaiane sesquiterpenoids

NP-Likeness score: 2.389

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Chemical structure download