| Common Name |
[10]-Gingerdione
| Description |
[10]-Gingerdione is found in herbs and spices. [10]-Gingerdione is isolated from Zingiber officinale (ginger) [10]-Gingerdione belongs to the family of Gingerdiones. These are compounds containing a gingerdione moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-dione.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29475 ([10]-Gingerdione)
| Synonyms |
| Value |
Source |
1-(4-Hydroxy-3-methoxyphenyl)-3,5-tetradecanedioneHMDB
| Chemical Formlia |
C21H32O4
| Average Molecliar Weight |
348.4764
| Monoisotopic Molecliar Weight |
348.230059512
| IUPAC Name |
1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-dione
| Traditional Name |
1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-dione
| CAS Registry Number |
Not Available
| SMILES |
CCCCCCCCCC(=O)CC(=O)CCC1=CC(OC)=C(O)C=C1
| InChI Identifier |
InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,24H,3-11,13,16H2,1-2H3
| InChI Key |
QPSYZJDGMPQMSV-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as gingerdiones. These are compounds containing a gingerdione moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-dione.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Benzenoids
| Sub Class |
Phenols
| Direct Parent |
Gingerdiones
| Alternative Parents |
Phenoxy compounds
Methoxybenzenes
Anisoles
Beta-diketones
Alkyl aryl ethers
1-hydroxy-2-unsubstituted benzenoids
Ketones
Organic oxides
Hydrocarbon derivatives
| Substituents |
Gingerdione
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1,3-diketone
Monocyclic benzene moiety
1,3-dicarbonyl compound
Ketone
Ether
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.0042 mg/mLALOGPS
logP5.6ALOGPS
logP5.96ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)8.66ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity100.69 m3·mol-1ChemAxon
Polarizability41.57 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-0002-0409000000-6e9f6fe4cbfebe1235fcView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-06vr-1911000000-aa815f5a291e6fe4fe1eView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0kbf-7900000000-fb3abfcc3903c81fde3dView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-0002-0209000000-d347e3247bb097945f5eView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-00mk-0935000000-6beec9212a8388cd154eView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0aor-9852000000-36df57ad73c7c49bad8dView in MoNA
| Biological Properties |
| Cellliar Locations |
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000598
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29475
| Metagene Link |
HMDB29475
| METLIN ID |
Not Available
| PubChem Compound |
14440539
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: NVP-BAW2881
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 11145008
