Summary

IMPPAT Phytochemical identifier: IMPHY008654

Phytochemical name: [12]-Gingerol

Synonymous chemical names:
gingerol, 12-

External chemical identifiers:
CID:5317599, ChEBI:169737

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Chemical structure information

SMILES:
CCCCCCCCCCCC(CC(=O)CCc1ccc(c(c1)OC)O)O

InChI:
InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,20,24,26H,3-13,15,18H2,1-2H3

InChIKey:
HQXJXOYLPWCMGL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)CCcccccc6)OC)))O)))))))))O

Functional groups:
CC(C)=O, CO, 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: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.188

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Chemical structure download