Summary

IMPPAT Phytochemical identifier: IMPHY005700

Phytochemical name: Dehydro-10-gingerdione

Synonymous chemical names:
10-dehydrogingerdione

External chemical identifiers:
CID:22608831, ZINC:ZINC000139471162

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)/C=C(/C=C/c1ccc(c(c1)OC)O)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/h11-16,23-24H,3-10H2,1-2H3/b13-11+,19-16-

InChIKey:
NILVTWAPVHQVPS-UINJHVQLSA-N

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

Functional groups:
c/C=C/C(O)=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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 1.153

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Chemical structure download