gingerol   

GtoPdb Ligand ID: 2428

Synonyms: 6-Gingerol | [6]-Gingerol
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 66.76
Molecular weight 294.18
XLogP 2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCCC(CC(=O)CCc1ccc(c(c1)OC)O)O
Isomeric 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
InChI Key NLDDIKRKFXEWBK-AWEZNQCLSA-N
Classification
Compound class Natural product or derivative
IUPAC Name
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Synonyms
6-Gingerol | [6]-Gingerol
Database Links
CAS Registry No. 23513-14-6 (source: Scifinder)
ChEBI CHEBI:10136
ChEMBL Ligand CHEMBL402978
GtoPdb PubChem SID 135650304
PubChem CID 442793
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Wikipedia Gingerol