5,5',7-trihydroxy-2',2'-dimethyl-2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one
Grundinformationen
- Standard-SMILES
CC1(C)CCc2c(O)ccc(C3COc4cc(O)cc(O)c4C3=O)c2O1- InChIKey
QYZNGBWQHYNRBM-UHFFFAOYSA-N- Summenformel
- C20H20O6
- Durchschnittliche Molmasse
- 356,4 g/mol
- Monoisotopische Masse
- 356,12598836
Überblick
Glyasperin F is a member of the class of 7-hydroxyisoflavones that consists of 2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one substituted by hydroxy groups at positions 5, 5' and 7 and methyl groups at positions 2' and 2'. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite.
Namen und Bezeichner
- Bevorzugter Name
- 5,5',7-trihydroxy-2',2'-dimethyl-2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-one
- IUPAC
- 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-one
Namen und Synonyme
5,5',7-trihydroxy-2',2'-dimethyl-2,3,3',4'-tetrahydro-2'H,4H-3,8'-bichromen-4-oneRefChem:9358265,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-oneCHEBI:69092Q27137433
Datenbank-Bezeichner
- ChEBI
CHEBI:69092
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 96,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 548
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