Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017276

Phytochemical name: [6]-Dehydrogingerdione

Synonymous chemical names:
Dehydrogingerdione,(6)-, dehydrogingerdione, Dehydrogingerdione, (6)-, [6]-dehydrogingerdione

External chemical identifiers:
CID:CID_9796015, ChEBI:CHEBI:172522, ZINC:ZINC000033963476, MolPort-039-338-783

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Chemical structure information

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

InChI:
InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-11,20H,3-6,12H2,1-2H3/b9-7+

InChIKey:
JUKHKHMSQCQHEN-VQHVLOKHSA-N

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

Functional groups:
CC(C)=O, c/C=C/C(C)=O, cOC, 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: 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: 1.428

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Chemical structure download