Summary

IMPPAT Phytochemical identifier: IMPHY011608

Phytochemical name: Gingerol

Synonymous chemical names:
(+)-6-gingerol, 6-gingerol, [6]-gingerol, geijerol, gingerol, gingerol,(6)-, gingerol,6-

External chemical identifiers:
CID:442793, ChEMBL:CHEMBL402978, ChEBI:10136, ZINC:ZINC000001531846, FDASRS:925QK2Z900, SureChEMBL:SCHEMBL32102, MolPort-006-822-484

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Chemical structure information

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

InChI:
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1

InChIKey:
NLDDIKRKFXEWBK-AWEZNQCLSA-N

DeepSMILES:
CCCCC[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: 1.476

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Chemical structure download