Summary

IMPPAT Phytochemical identifier: IMPHY010041

Phytochemical name: 1-Dehydro-10-gingerdione

Synonymous chemical names:
[10]-dehydrogingerdione

External chemical identifiers:
CID:14999388, ZINC:ZINC000049784944, MolPort-039-338-730

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)CC(=O)/C=C/c1ccc(c(c1)OC)O

InChI:
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11+

InChIKey:
QJDGTTCAEQPSJA-ACCUITESSA-N

DeepSMILES:
CCCCCCCCCC=O)CC=O)/C=C/cccccc6)OC)))O

Functional groups:
CC(C)=O, 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: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 1.242

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Chemical structure download