Grundinformationen
- Standard-SMILES
O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12- InChIKey
ZCOLJUOHXJRHDI-CMWLGVBASA-N- Summenformel
- C21H20O10
- Durchschnittliche Molmasse
- 432,4 g/mol
- Monoisotopische Masse
- 432,10564684
Überblick
Genistein 7-O-beta-D-glucoside is a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It has a role as an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It is functionally related to a genistein. It is a conjugate acid of a genistein 7-O-beta-D-glucoside(1-).
Namen und Bezeichner
- Bevorzugter Name
- Genistin
- IUPAC
- 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Namen und Synonyme
Genistin529-59-9GenistosideGenistinegenistein 7-O-glucosideGenistein 7-glucosideGenistein 7-O-beta-D-glucoside1POG3SCN5TDTXSID3022324CHEBI:27514NSC-51125-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
Weitere Namen anzeigen
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5-hydroxy-3-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:639832DTXCID0023245-hydroxy-3-(4-hydroxyphenyl)-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one5-hydroxy-3-(4-hydroxyphenyl)-7-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one610-921-5
Datenbank-Bezeichner
- CAS
529-59-9- PubChem CID
- 5281377
- DTXSID
DTXSID3022324- ChEMBL
CHEMBL486625- ChEBI
CHEBI:27514- UNII
- 1POG3SCN5T
- EC Number
- 610-921-5
- Nikkaji
- J40.719D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 166 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 675
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
LogP0.97
Endocrine DisruptorsPotential endocrine disrupting compound
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Zugehörige Reaktionen
11
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