Summary

IMPPAT Phytochemical identifier: IMPHY004436

Phytochemical name: Dehydrozingerone

Synonymous chemical names:
dihydrogingerol

External chemical identifiers:
CID:5354238, ChEMBL:CHEMBL106509, ChEBI:81361, ZINC:ZINC000000008046, FDASRS:8CJX5I27B7, SureChEMBL:SCHEMBL498223, MolPort-001-823-649

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Chemical structure information

SMILES:
COc1cc(/C=C/C(=O)C)ccc1O

InChI:
InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+

InChIKey:
AFWKBSMFXWNGRE-ONEGZZNKSA-N

DeepSMILES:
COccc/C=C/C=O)C))))ccc6O

Functional groups:
c/C=C/C(C)=O, cO, cOC

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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: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Hydroxycinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.127

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Chemical structure download