Summary

IMPPAT Phytochemical identifier: IMPHY015440

Phytochemical name: (-)-Epi-beta-bisabolol

Synonymous chemical names:
7-epi-β-bisabolol

External chemical identifiers:
CID:6429033

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Chemical structure information

SMILES:
CC(=CCCC(C1CCC(=C)CC1)(O)C)C

InChI:
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6,14,16H,3,5,7-11H2,1-2,4H3

InChIKey:
AOJGKVRVMQAERF-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCCCC=C)CC6))))))O)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: 2.4

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Chemical structure download