4H-1-Benzopyran-4-one, 3-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-
Basic information
- CAS
76265-28-6- Standard SMILES
COc1c(O)cc(-c2coc3cc(O)cc(O)c3c2=O)cc1O- InChIKey
NZVLHOXXOSELRF-UHFFFAOYSA-N- Molecular formula
- C16H12O7
- Average molar mass
- 316.26 g/mol
- Monoisotopic mass
- 316.05830272
Overview
Junipegenin a is an organic molecular entity.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-
- IUPAC
- 3-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-one
Names & synonyms
Junipegenin A4H-1-Benzopyran-4-one, 3-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-76265-28-65,7,3',5'-Tetrahydroxy-4'-methoxyisoflavoneSCHEMBL30534411DTXSID90227128CHEBI:2307583-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychromen-4-oneLMPK120502733',5,5',7-tetrahydroxy-4'-methoxyisoflavone3-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
76265-28-6- PubChem CID
- 5488618
- DTXSID
DTXSID90227128- ChEBI
CHEBI:230758- Nikkaji
- J397.874E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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