Basic information
- CAS
13157-90-9- Standard SMILES
O=c1c(OCc2ccccc2)c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12- InChIKey
CSQNIJRRXIHHAY-UHFFFAOYSA-N- Molecular formula
- C50H40O7
- Average molar mass
- 752.8 g/mol
- Monoisotopic mass
- 752.27740361
Overview
Benzquercin is a member of flavones.
Names & identifiers
- Preferred name
- 3,3',4',5,7-Pentabenzyloxyflavone
- IUPAC
- 2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)chromen-4-one
- English name
- 2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)chromen-4-on e
- Molecular formula
- C50H40O7
- Molecular weight
- 0
Names & synonyms
BenzquercinBenzquercine13157-90-9BenzquercinaBenzquercinumQuercetin pentabenzyl ether499L7I0905DTXSID701571163,3',4',5,7-PentabenzyloxyflavoneRefChem:910515DTXCID8079607Benzquercin [INN]
Show more names
Pentabenzyl ether2-[3,4-Bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-4H-1-benzopyran-4-one
3,5,7-Tris(benzyloxy)-2-(3,4-bis(benzyloxy)phenyl)-4H-chromen-4-one2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)chromen-4-oneParietrope3,3',4',5,7-Pentakis(benzyloxy)flavone2-[3,4-BIS(PHENYLMETHOXY)PHENYL]-3,5,7-TRIS(PHENYLMETHOXY)CHROMEN-4-ON EBenzquercine [INN-French]Benzquercinum [INN-Latin]Benzquercina [INN-Spanish]
Database identifiers
- CAS
13157-90-9- PubChem CID
- 65604
- DTXSID
DTXSID70157116- ChEMBL
CHEMBL2103922- ChEBI
CHEBI:135880- UNII
- 499L7I0905
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,220
Physicochemical properties
- Melting point
- 123 · 123-125°
- FDA UNII
- 499 L7I0905 · 499L7I0905
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Additional notes
DefinitionChEBI: Benzquercin is a member of flavones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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