Summary

IMPPAT Phytochemical identifier: IMPHY008657

Phytochemical name: 9-Gingerol

Synonymous chemical names:
gingerol,9-

External chemical identifiers:
CID:102510965

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Chemical structure information

SMILES:
CCCCCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O

InChI:
InChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-17(21)15-18(22)12-10-16-11-13-19(23)20(14-16)24-2/h11,13-14,17,21,23H,3-10,12,15H2,1-2H3/t17-/m0/s1

InChIKey:
POEQJXMZRAIOBX-KRWDZBQOSA-N

DeepSMILES:
CCCCCCCC[C@@H]CC=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: 1.336

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Chemical structure download