4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-, (2R-trans)-
Basic information
- CAS
130926-71-5- Standard SMILES
COc1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@@H](c1ccc(O)cc1)O2- InChIKey
SZKFMAOEZUMSRT-AEFFLSMTSA-N- Molecular formula
- C18H16O8
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.08451746
Overview
6-methoxyaromadendrin 3-O-acetate is a trihydroxyflavanone that is aromadendrin 3-O-acetate substituted by a methoxy group at position 6. It is a member of 4'-hydroxyflavanones, a monomethoxyflavanone, a trihydroxyflavanone and an acetate ester. It is functionally related to a (+)-dihydrokaempferol.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-, (2R-trans)-
- IUPAC
- [(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
- English name
- 4H-1-Benzopyran-4-one,3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-,(2R-trans)- (9CI)
- Molecular formula
- C18H16O8
- Molecular weight
- 360.31484
Names & synonyms
6-Methoxyaromadendrin 3-O-acetate130926-71-5CHEBI:2210DTXSID80331824[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate((2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl) acetateRefChem:935823DTXCID302829184H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-, (2R-trans)-(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetateC09764SCHEMBL20450267
Show more names
4H-1-Benzopyran-4-one,3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-,(2R-trans)- (9CI)
3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetateQ27105582
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
Chemistry & industry
Additional notes
DefinitionChEBI: 6-methoxyaromadendrin 3-O-acetate is a trihydroxyflavanone that is aromadendrin 3-O-acetate substituted by a methoxy group at position 6. It is an acetate ester, a monomethoxyflavanone, a trihydroxyflavanone and a member of 4'-hydroxyflavanones. It is functionally related to a (+)-dihydrokaempferol.
Related reactions
0 records
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Compound notes
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