| Common Name |
[10]-Dehydrogingerdione
| Description |
[10]-Dehydrogingerdione is found in herbs and spices. [10]-Dehydrogingerdione is from Zingiber officinale (ginger) [10]-Dehydrogingerdione belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29476 ([10]-Dehydrogingerdione)
| Synonyms |
| Value |
Source |
1H-pyrazolo(3,4-D)PyrimidineHMDB
pyrazolo(3,4-D)PyrimidineHMDB
| Chemical Formlia |
C21H30O4
| Average Molecliar Weight |
346.4605
| Monoisotopic Molecliar Weight |
346.214409448
| IUPAC Name |
(1Z)-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione
| Traditional Name |
(1Z)-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione
| CAS Registry Number |
82206-04-0
| SMILES |
CCCCCCCCCC(=O)CC(=O)C=C/C1=CC(OC)=C(O)C=C1
| InChI Identifier |
InChI=1S/C21H30O4/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/h11-15,24H,3-10,16H2,1-2H3/b13-11-
| InChI Key |
QJDGTTCAEQPSJA-QBFSEMIESA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
| Kingdom |
Organic compounds
| Super Class |
Phenylpropanoids and polyketides
| Class |
Cinnamic acids and derivatives
| Sub Class |
Hydroxycinnamic acids and derivatives
| Direct Parent |
Hydroxycinnamic acids and derivatives
| Alternative Parents |
Methoxyphenols
Styrenes
Methoxybenzenes
Anisoles
Beta-diketones
Alkyl aryl ethers
Enones
Acryloyl compounds
Ketones
Hydrocarbon derivatives
| Substituents |
Hydroxycinnamic acid or derivatives
Methoxyphenol
Methoxybenzene
Styrene
Phenol ether
Anisole
1,3-diketone
Phenol
Alkyl aryl ether
Benzenoid
1,3-dicarbonyl compound
Monocyclic benzene moiety
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Ketone
Ether
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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 Point65 – 69.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.0018 mg/mLALOGPS
logP5.4ALOGPS
logP6.04ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)8.59ChemAxon
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity101.78 m3·mol-1ChemAxon
Polarizability40.12 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, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| 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 |
FDB000599
| 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 |
HMDB29476
| Metagene Link |
HMDB29476
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Tetrabenazine (Racemate)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Duggan DE, Streeter KB: Inhibition of ferritin reduction by pyrazolo(3,4d)pyrimidines. Arch Biochem Biophys. 1973 May;156(1):66-70. [PubMed:4740962 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 3005901
