Structure Database (LMSD)

OH O O HO
Common Name
[6]-Gingerol
Systematic Name
5S-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Synonyms
  • Gingerol
LM ID
LMPK15020007
Formula
C17H26O4
Exact Mass
Calculate m/z
294.18311
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl catechols and derivatives [PK1502]

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

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

Other Databases

KEGG ID
C10462
CHEBI ID
10136
PubChem CID
442793
GuidePharm ID
2428

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