4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-
Basic information
- CAS
79492-73-2- Standard SMILES
COc1cc(-c2cc(=O)c3cc(O)c(O)cc3o2)cc(OC)c1OC- InChIKey
COJGTOWPKOSQSC-UHFFFAOYSA-N- Molecular formula
- C18H16O7
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.08960285
Overview
4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)- has been reported in Prosopis cineraria and Prosopis spicigera with data available.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 6,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
- English name
- 6,7-Dihydroxy-3',4',5'-trimethoxyflavone
- Molecular weight
- 0
Names & synonyms
Prosogerin E79492-73-24H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-SCHEMBL1777839DTXSID60229715LMPK121100696,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one6,7-Dihydroxy-3',4',5'-trimethoxyflavone
Database identifiers
- CAS
79492-73-2- PubChem CID
- 5488683
- DTXSID
DTXSID60229715- Nikkaji
- J61.268E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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