Summary

IMPPAT Phytochemical identifier: IMPHY008656

Phytochemical name: [3]-Gingerol

Synonymous chemical names:
gingerol,3-

External chemical identifiers:
CID:71103175, ZINC:ZINC000015257046, SureChEMBL:SCHEMBL14220637

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Chemical structure information

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

InChI:
InChI=1S/C14H20O4/c1-3-11(15)9-12(16)6-4-10-5-7-13(17)14(8-10)18-2/h5,7-8,11,15,17H,3-4,6,9H2,1-2H3/t11-/m0/s1

InChIKey:
SXBWPFPEFBWWDX-NSHDSACASA-N

DeepSMILES:
CC[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: 1.418

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Chemical structure download