4',4'''-Dimethylcuppressuflavanone

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Basic information

CAS: 115900-09-9
Standard SMILES: COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(OC)cc4)CC5=O)c3O2)cc1
InChIKey: XIKAZLWQXAZJRL-UIOOFZCWSA-N
Molecular formula: C32H26O10
Average molar mass: 570.5 g/mol
Monoisotopic mass: 570.15259702

Names & identifiers

Preferred name: 4',4'''-Dimethylcuppressuflavanone
IUPAC: (2S)-8-[(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Names & synonyms

115900-09-94',4'''-DimethylcuppressuflavanoneDTXSID50921837(8,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-methoxyphenyl)-, (S-(R*,R*))-(2S,2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-[8,8'-bi-1-benzopyran]-4,4'-dione5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-[8,8'-bi-1-benzopyran]-4,4'-dione

Database identifiers

CAS: 115900-09-9
PubChem CID: 189338
DTXSID: DTXSID50921837
Nikkaji: J2.384.521K

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 152 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 42
Formal charge: 0
Complexity: 883

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Compound notes

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