Basic information
- CAS
73428-17-8- Standard SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O- InChIKey
UKRJEVDCOVVSAB-BENTYHEHSA-N- Molecular formula
- C30H22O13
- Average molar mass
- 590.5 g/mol
- Monoisotopic mass
- 590.10604075
Overview
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one has been reported in Garcinia mannii and Garcinia kola with data available.
Names & identifiers
- Preferred name
- (2S,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy(3,8'-bi-4H-1-benzopyran)-4,4'-dione
- IUPAC
- (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
- English name
- [2S-[2alpha,3beta(2'S*,3'S*)]]-2,2'-bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy[3,8'-bi-4H-1-benzopyran]-4,4'-dione
- Molecular formula
- C30H22O13
- Molecular weight
- 590.49
Names & synonyms
Manniflavanone73428-17-8(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-oneDTXSID20223658CHEBI:27409(2R,3R)-2-(3,4-dihydroxyphenyl)-8-((2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-oneRefChem:905885DTXCID50146149(2S,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy(3,8'-bi-4H-1-benzopyran)-4,4'-dione277-471-6EINECS 277-471-6C09763
Show more names
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2'-bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-, (2S,2'R,3R,3'R)-[2S-[2alpha,3beta(2'S*,3'S*)]]-2,2'-bis(3,4-dihydroxyphenyl)-2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy[3,8'-bi-4H-1-benzopyran]-4,4'-dione(2S)-2α-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-3β-[[(2R)-3,4-dihydro-2α-(3,4-dihydroxyphenyl)-4-oxo-3β,5,7-trihydroxy-2H-1-benzopyran]-8-yl]-4H-1-benzopyran-4-one
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Biflavonoids and polyflavonoids [PK1204]
Physicochemical properties
- Boiling point
- 1007 · 1007.0±65.0 °C(Predicted)
- Density
- 1.761 · 1.761±0.06 g/cm3(Predicted)
- pka
- 6.71 · 6.71±0.60(Predicted)
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Additional notes
DefinitionChEBI: A biflavonoid isolated from Garcinia buchananii and has been shown to exhibit antioxidant activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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