Summary

IMPPAT Phytochemical identifier: IMPHY009618

Phytochemical name: Zingiberenol

Synonymous chemical names:
zingiberenol

External chemical identifiers:
CID:13213649, SureChEMBL:SCHEMBL13967724

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Chemical structure information

SMILES:
CC(=CCCC(C1CCC(C=C1)(C)O)C)C

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

InChIKey:
VVCHIOKYQRUBED-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCCCCC=C6))C)O)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: 3.551

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Chemical structure download