Summary

IMPPAT Phytochemical identifier: IMPHY001246

Phytochemical name: Carvacrol

Synonymous chemical names:
calvacrol, carvacro, carvacrol, carvacrol (isothymol), carvacrol*, carvscrol, isothymol

External chemical identifiers:
CID:10364, ChEMBL:CHEMBL281202, ChEBI:3440, ZINC:ZINC000000967563, FDASRS:9B1J4V995Q, SureChEMBL:SCHEMBL24734, MolPort-001-791-894

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Chemical structure information

SMILES:
CC(c1ccc(c(c1)O)C)C

InChI:
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

InChIKey:
RECUKUPTGUEGMW-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)O))C)))))C

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.265

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Chemical structure download