Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-01-22 09:25:58 UTC
Update Date2022-03-07 02:49:28 UTC
HMDB IDHMDB0005783
Secondary Accession Numbers
  • HMDB05783
Metabolite Identification
Common NameGingerol
DescriptionGingerol belongs to the class of organic compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one. Gingerol is a pungent tasting compound. Gingerol is found, on average, in the highest concentration within gingers (Zingiber officinale). Gingerol has also been detected, but not quantified in, several different foods, such as sweet bays (Laurus nobilis), star anises (Illicium verum), ceylon cinnamons (Cinnamomum verum), nutmegs (Myristica fragrans), and caraways (Carum carvi). This could make gingerol a potential biomarker for the consumption of these foods. Gingerol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Gingerol.
Structure
Thumb
Synonyms
ValueSource
6g [6]-GingerolChEMBL, HMDB
5-Hydroxy-1-(4-hydroxy-3-methoxtphenyl)-3-decanoneHMDB
5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-oneHMDB
6-GingerolHMDB
[6]-GingerolHMDB
(6)-GingerolMeSH, HMDB
10-GingerolMeSH, HMDB
Chemical FormulaC17H26O4
Average Molecular Weight294.3859
Monoisotopic Molecular Weight294.18310932
IUPAC Name5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Traditional Namegingerol
CAS Registry Number58253-27-3
SMILES
CCCCCC(O)CC(=O)CCC1=CC=C(O)C(OC)=C1
InChI Identifier
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
InChI KeyNLDDIKRKFXEWBK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentGingerols
Alternative Parents
Substituents
  • Gingerol
  • Fatty alcohol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Beta-hydroxy ketone
  • Fatty acyl
  • Ketone
  • Secondary alcohol
  • Ether
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point30 - 32 °CNot Available
Boiling Point567.00 to 568.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility97.87 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP6.670 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001108
KNApSAcK IDC00002748
Chemspider ID3354
KEGG Compound IDC10462
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkGingerol
METLIN IDNot Available
PubChem Compound3473
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1384631
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available