Summary

IMPPAT Phytochemical identifier: IMPHY010507

Phytochemical name: (8)-Gingerol

Synonymous chemical names:
8-gingerol, [8]-gingerol, gingero1,8-, gingerol,(8), gingerol,(8)-

External chemical identifiers:
CID:168114, ChEMBL:CHEMBL1095671, ChEBI:81133, ZINC:ZINC000001537498, FDASRS:LB0IJB138K, SureChEMBL:SCHEMBL16488703, MolPort-008-155-945

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Chemical structure information

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

InChI:
InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1

InChIKey:
BCIWKKMTBRYQJU-INIZCTEOSA-N

DeepSMILES:
CCCCCCC[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-Likeness score: 1.394

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Chemical structure download