Summary

IMPPAT Phytochemical identifier: IMPHY005077

Phytochemical name: (10)-Gingerol

Synonymous chemical names:
[10]-gingerol, gingerol, (10)-, gingerol,10-

External chemical identifiers:
CID:168115, ChEMBL:CHEMBL549472, ChEBI:81134, ZINC:ZINC000043009609, FDASRS:ND6ZLI4J0V, SureChEMBL:SCHEMBL16488702, MolPort-006-666-424

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Chemical structure information

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

InChI:
InChI=1S/C21H34O4/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/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1

InChIKey:
AIULWNKTYPZYAN-SFHVURJKSA-N

DeepSMILES:
CCCCCCCCC[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: 1.283

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Chemical structure download