Structure Database (LMSD)
Common Name
[6]-Gingerol
Systematic Name
5S-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Synonyms
- Gingerol
3D model of [6]-Gingerol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Zingiber officinale
(#94328)
Magnoliopsida
(#3398)
Total Synthesis of Natural Gingerols, the Three Active Principles of Ginger,
j Org Chem, 1993
j Org Chem, 1993
DOI:
10.1021/jo00060a038
String Representations
InChiKey (Click to copy)
NLDDIKRKFXEWBK-AWEZNQCLSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1=CC(O)=C(OC)C=C1CCC(=O)C[C@@H](O)CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
304.00
Topological Polar Surface Area
66.76
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.52
Molar Refractivity
83.26
Admin
Created at
6th Jul 2022
Updated at
6th Jul 2022