5,7-Dimethoxyflavanone
Basic information
- CAS
1036-72-2- Standard SMILES
COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O- InChIKey
IAFBOKYTDSDNHV-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Overview
5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 5,7-Dimethoxyflavanone
- IUPAC
- 5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
- English name
- 5,7-Dimethoxyflavanone
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
5,7-Dimethoxyflavanone1036-72-25,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-oneRefChem:9358335,7-dimethoxy-2-phenylchroman-4-one36052-66-15,7-DimethoxyflavanonDimethylpinocembrinFlavanone, 5,7-dimethoxy-NSC6612065,7-Dimethoxy-2-phenyl-chroman-4-onePinocembrin 5,7-dimethyl ether
Show more names
DIMETHOXYFLAVANONE,5,7-5,7-Dimethylpinocembrin5,7-DIMETHOXYFLAVANONE 97%PINOCEMBRIN DIMETHYL ETHER5,7-Dimethoxyflavanone(Alpinetin Methyl ether)2-Phenyl-5,7-dimethoxy-2,3-dihydro-4H-1-benzopyran-4-one2,3-Dihydro-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
alpinetin methyl etherMFCD001434145,7-Dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-oneCHEMBL1071314H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-phenyl-, (2S)-NSC 661206Spectrum_0003245,7-Dimethoxyflavonone
Database identifiers
- CAS
1036-72-2- PubChem CID
- 378567
- DTXSID
DTXSID20908493- ChEMBL
CHEMBL107131- ChEBI
CHEBI:110206- Nikkaji
- J109.876D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Collision Cross Section162.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 144 · 144-146°C
- Boiling point
- 468.8 · 468.8±45.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
Uses5,7-Dimethoxyflavanone is an active compound. 5,7-Dimethoxyflavanone can be Isolated from the roots of Zanthoxylum nitidum[1].
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one is a member of flavonoids and an ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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