7,8,3',4'-Tetrahydroxyflavone
Basic information
- CAS
3440-24-2- Standard SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12- InChIKey
ARYCMKPCDNHQCL-UHFFFAOYSA-N- Molecular formula
- C15H10O6
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.04773803
Overview
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1-benzopyran-4-one is a member of flavones. It is a conjugate acid of a 3',4',8-trihydroxyflavone-7-olate.
Names & identifiers
- Preferred name
- 7,8,3',4'-Tetrahydroxyflavone
- IUPAC
- 2-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one
- English name
- 3',4',7,8-Tetrahydroxyflavone
- Molecular formula
- C15H10O6
- Molecular weight
- 286.24
Names & synonyms
3440-24-27,8,3',4'-tetrahydroxyflavone2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-DTXSID20350973RefChem:105534DTXCID90302040ARYCMKPCDNHQCL-UHFFFAOYSA-N3',4',7,8-Tetrahydroxyflavone2-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-oneMFCD00017435CHEMBL222541
Show more names
3',4',7,8-TETRAHYDROXYFLA3,4,7,8-TETRAHYDROXYFLAVONE 97%TETRAHYDROXYFLAVONE, 3',4',7,8-TETRAHYDROXYFLAVONE, 3',4',7,8-(RG)3',4',7,8-TETRAHYDROXYFLAVONE USP/EP/BP
ST0596207,8,3 inverted exclamation marka,4 inverted exclamation marka-Tetrahydroxyflavone2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-chromen-4-one2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-4H-1-benzopyran-4-one2-(3,4-Bis(oxidanyl)phenyl)-7,8-bis(oxidanyl)chromen-4-oneSQHSE9ZF942CK
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 309 · 309~310℃
- Boiling point
- 618.9 · 618.9±55.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- Methanol (Slightly, Heated)
- pka
- 6.86 · 6.86±0.40(Predicted)
- form
- Solid
- color
- Light Yellow
- Stability
- Light Sensitive
- LogP
- 2.03 · 2.030 (est)
Chemistry & industry
Applications
Uses7,8,3′,4′-Tetrahydroxyflavone (compound 2) is a potent xanthine oxidase (XOD) inhibitor with an IC50 value of 10.488 μM[1].
Additional notes
DefinitionChEBI: 2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1-benzopyran-4-one is a member of flavones. It is a conjugate acid of a 3',4',8-trihydroxyflavone-7-olate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…