Summary

IMPPAT Phytochemical identifier: IMPHY009718

Phytochemical name: Bulnesol

Synonymous chemical names:
bulnesol, guai-1(10)-en-11-ol

External chemical identifiers:
CID:90785, SureChEMBL:SCHEMBL6511521

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Chemical structure information

SMILES:
CC1CCC2=C(C)CCC(CC12)C(O)(C)C

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

InChIKey:
LGOFSGDSFQNIAT-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC)CCCCC%107))CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC2CCCC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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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: 2.497

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Chemical structure download