5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Basic information
- CAS
577-26-4- Standard SMILES
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12- InChIKey
SPZXXUUDYMHBSG-UHFFFAOYSA-N- Molecular formula
- C15H10O7
- Average molar mass
- 302.23 g/mol
- Monoisotopic mass
- 302.04265265
Overview
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one is a pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively.
Names & identifiers
- Preferred name
- 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- IUPAC
- 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
- English name
- 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
- Molecular formula
- C15H10O7
- Molecular weight
- 302.2357
Names & synonyms
Nortangeretin577-26-45,6,7,8,4'-PentahydroxyflavoneLMG443BS125,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneNSC-769882-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-CHEBI:79553DTXSID60206400RefChem:1072167DTXCID20128891
Show more names
MLS0007368395,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMR0005283445,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneNSC 76988DEMETHYLPONKANETINUNII-LMG443BS12cid_96506
Database identifiers
- CAS
577-26-4- PubChem CID
- 96506
- DTXSID
DTXSID60206400- ChEMBL
CHEMBL234338- ChEBI
CHEBI:79553- UNII
- LMG443BS12
- Nikkaji
- J1.571.587A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- FDA UNII
- 443 BS12 · LMG443BS12
Chemistry & industry
Additional notes
DefinitionChEBI: 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one is a pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively.
Related reactions
0 records
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Compound notes
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