2,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Basic information
- CAS
32898-79-6- Standard SMILES
COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(O)c1- InChIKey
CBEPNYOFLRIAGR-UHFFFAOYSA-N- Molecular formula
- C16H14O6
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.07903816
Overview
Ferreirin is a hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 2' and a methoxy group at position 4' respectively. It has a role as a plant metabolite. It is a hydroxyisoflavanone and a methoxyisoflavanone. It is functionally related to an isoflavanone.
Names & identifiers
- Preferred name
- 2,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
- IUPAC
- 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
- English name
- ferreirin
- Molecular formula
- C16H14O6
- Molecular weight
- 302.28
Names & synonyms
Ferreirin32898-79-62,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneCHEBI:5018DTXSID403319465,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-oneRefChem:140250DTXCID702830405,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one5,7-Dihydroxy-3-(2-hydroxy-4-methoxyphenyl)chroman-4-one5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-oneSCHEMBL29688602
Show more names
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-
LMPK12050501XF1617522',5,7-Trihydroxy-4'-methoxyisoflavanone5,7,2'-trihydroxy-4'-methoxyisoflavanone5,7,2?-Trihydroxy-4?-methoxyisoflavanoneQ27106626
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Melting Point210 - 212 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 536.5 · 536.5±50.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 7.49 · 7.49±0.40(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: Ferreirin is a hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 2' and a methoxy group at position 4' respectively. It has a role as a plant metabolite. It is a hydroxyisoflavanone and a methoxyisoflavanone. It is functionally related to an isoflavanone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…