Summary

IMPPAT Phytochemical identifier: IMPHY008655

Phytochemical name: [2]-Gingerol

Synonymous chemical names:
gingerol, 2-

External chemical identifiers:
CID:59305567, SureChEMBL:SCHEMBL12649493

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Chemical structure information

SMILES:
COc1cc(CCC(=O)C[C@@H](O)C)ccc1O

InChI:
InChI=1S/C13H18O4/c1-9(14)7-11(15)5-3-10-4-6-12(16)13(8-10)17-2/h4,6,8-9,14,16H,3,5,7H2,1-2H3/t9-/m0/s1

InChIKey:
GSOILIDXYXGEBY-VIFPVBQESA-N

DeepSMILES:
COcccCCC=O)C[C@@H]O)C))))))ccc6O

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: 1.375

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Chemical structure download