| Common Name |
Maritimetin
| Description |
Maritimetin is used in flavouringMaritimetin belongs to the family of Aurone Flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus)[1]. (Reference: [1] Toru Nakayama.2003. Enzymology of aurone biosynthesis. Journal of Bioscience and Bioengineering Volume 94, Issue 6, December 2002, Pages 487-491.).
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29711 (Maritimetin)
| Synonyms |
| Value |
Source |
6,7-Dihydroxy-2[(3,4-dihydroxyphenyl)methylene]-3(2H)-benzofuranone, 9ciHMDB
| Chemical Formlia |
C15H10O6
| Average Molecliar Weight |
286.2363
| Monoisotopic Molecliar Weight |
286.047738052
| IUPAC Name |
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6,7-dihydroxy-2,3-dihydro-1-benzofuran-3-one
| Traditional Name |
maritimetin
| CAS Registry Number |
576-02-3
| SMILES |
OC1=CC=C(C=C2/OC3=C(O)C(O)=CC=C3C2=O)C=C1O
| InChI Identifier |
InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H/b12-6-
| InChI Key |
PNIFOHGQPKXLJE-SDQBBNPISA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus).
| Kingdom |
Organic compounds
| Super Class |
Phenylpropanoids and polyketides
| Class |
Aurone flavonoids
| Sub Class |
Not Available
| Direct Parent |
Aurone flavonoids
| Alternative Parents |
Benzofurans
Catechols
Aryl ketones
Oxacyclic compounds
Hydrocarbon derivatives
| Substituents |
Aurone
Benzofuran
Aryl ketone
1,2-diphenol
Phenol
Benzenoid
Monocyclic benzene moiety
Ketone
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Aurone flavonoids (C08720 )
aurones (C08720 )
| 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 Point292 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.13 mg/mLALOGPS
logP2.7ALOGPS
logP1.99ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)7.82ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74.97 m3·mol-1ChemAxon
Polarizability27.86 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
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 |
FDB000905
| KNApSAcK ID |
C00008029
| Chemspider ID |
4444678
| KEGG Compound ID |
C08720
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29711
| Metagene Link |
HMDB29711
| METLIN ID |
Not Available
| PubChem Compound |
5281292
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Neuromedin N
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: 19951715