Summary

IMPPAT Phytochemical identifier: IMPHY016938

Phytochemical name: Bisabolenol D

Synonymous chemical names:
bisabolenol d

External chemical identifiers:
CID:101614240

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Chemical structure information

SMILES:
CC(C(CCC(C1C=CC(C=C1)C)C)O)C

InChI:
InChI=1S/C15H26O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,11-16H,7,10H2,1-4H3

InChIKey:
ANUDPTAIJBXSOG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=CCC=C6))C)))))C))))O))C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Bisabolane sesquiterpenoids

NP-Likeness score: 1.646

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Chemical structure download