6,7-Dihydro-7,9-dihydroxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
PubChem CID: 76390859
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| Compound Synonyms | 3,5-dihydroxy-6,7-methylenedioxyflavanone, 6,7-Dihydro-7,9-dihydroxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one, 110204-44-9, 6,7-Dihydro-7,9-dihydroxy-6-phenyl-8H-1,3-dioxolo(4,5-g)(1)benzopyran-8-one, CHEBI:174858, DTXSID201142902, 7,9-dihydroxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of sugarbeet infected with Rhizoctonia solani. 3,5-Dihydroxy-6,7-methylenedioxyflavanone is found in common beet. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00204, P22309 |
| Iupac Name | 7,9-dihydroxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | 2.4 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavans |
| Molecular Formula | C16H12O6 |
| Inchi Key | WVADKXWSLHLDCL-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 3,5-Dihydroxy-6,7-methylenedioxyflavanone |
| Substituent Name | Hydroxyflavonoid, Flavanonol, 5-hydroxyflavonoid, 3-hydroxyflavonoid, Chromone, 1-benzopyran, Benzopyran, Chromane, Benzodioxole, Aryl alkyl ketone, Aryl ketone, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Secondary alcohol, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 6,7-Dihydro-7,9-dihydroxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one |
| Kingdom | Organic compounds |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H12O6/c17-12-11-9(6-10-16(13(11)18)21-7-20-10)22-15(14(12)19)8-4-2-1-3-5-8/h1-6,14-15,18-19H,7H2 |
| Smiles | C1OC2=C(O1)C(=C3C(=C2)OC(C(C3=O)O)C4=CC=CC=C4)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavanonols |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all