Sophoraflavanone L
Grundinformationen
- CAS
910459-01-7- Standard-SMILES
CC(C)=CCOc1cc(O)c2c(c1CC=C(C)C)OC(c1ccc(O)cc1O)CC2=O- InChIKey
SXRPAWKWQUYIOI-UHFFFAOYSA-N- Summenformel
- C25H28O6
- Durchschnittliche Molmasse
- 424,5 g/mol
- Monoisotopische Masse
- 424,18858861
Überblick
Sophoraflavanone L is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 8 and a prenyloxy group at position 7. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity towards KB epidermoid carcinoma cell line. It has a role as a metabolite and an antineoplastic agent. It is a member of 4'-hydroxyflavanones and a trihydroxyflavanone.
Namen und Bezeichner
- Bevorzugter Name
- Sophoraflavanone L
- IUPAC
- 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Namen und Synonyme
SOPHORAFLAVANONE LCHEBI:665132-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneRefChem:1048723CHEMBL463940SCHEMBL30766211DTXSID101104006910459-01-7Q271351195,2',4'-trihydroxy-7-(gamma,gamma-dimethylallyloxy)-8-(gamma,gamma-dimethylallyl)flavanone2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8-(3-methyl-2-buten-1-yl)-7-[(3-methyl-2-buten-1-yl)oxy]-4H-1-benzopyran-4-one2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-4H-chromen-4-one
Datenbank-Bezeichner
- CAS
910459-01-7- PubChem CID
- 16083180
- DTXSID
DTXSID101104006- ChEMBL
CHEMBL463940- ChEBI
CHEBI:66513- Nikkaji
- J2.364.195J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 96,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 677
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