Summary

IMPPAT Phytochemical identifier: IMPHY008645

Phytochemical name: [5]-Gingerol

Synonymous chemical names:
gingerol,5-

External chemical identifiers:
CID:15839352, ZINC:ZINC000015257077, SureChEMBL:SCHEMBL18195405

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Chemical structure information

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

InChI:
InChI=1S/C16H24O4/c1-3-4-5-13(17)11-14(18)8-6-12-7-9-15(19)16(10-12)20-2/h7,9-10,13,17,19H,3-6,8,11H2,1-2H3/t13-/m0/s1

InChIKey:
JZLXEKNVCWMYHI-ZDUSSCGKSA-N

DeepSMILES:
CCCC[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: Alkaloids

NP-Likeness score: 1.453

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Chemical structure download