Basic information
- CAS
15835-74-2- Standard SMILES
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O- InChIKey
BTMNGQCCCWTUQH-UHFFFAOYSA-N- Molecular formula
- C18H16O8
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.08451747
Overview
Acerosin is a trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively. It has a role as a metabolite. It is a trihydroxyflavone and a trimethoxyflavone.
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
- IUPAC
- 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one
- English name
- Acerosin
- Molecular formula
- C18H16O8
- Molecular weight
- 360.31
Names & synonyms
Acerosin15835-74-2CHEBI:23825,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxychromen-4-one3',5,7-Trihydroxy-4',6,8-trimethoxyflavoneDTXSID301664065,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-oneRefChem:1072243DTXCID9088897CHEMBL33144975,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-chromen-4-one5,7,3'-trihydroxy-6,8,4'-trimethoxyflavone
Show more names
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-
C09982SCHEMBL12469965BTMNGQCCCWTUQH-UHFFFAOYSA-NBDBM50046951LMPK12111473XA177971Q271056525,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-6,8-dimethoxy-chromen-4-one
Database identifiers
- CAS
15835-74-2- PubChem CID
- 177696
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 549
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point239 - 241 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: A trihydroxyflavone that is 5,7,3'-trihydroxyflavone with methoxy substituents at positions 6, 8 and 4' respectively.
Related reactions
1 records
Compound notes
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