Isoflavone

BioaActive Soy Isoflavones · 4H-1-Benzopyran-4-one,3-phenyl- · (1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione · ISOFLAVONE · Isoflavone,40% · Isoflavone 60% · Soy Isoflavione · 3-Phenylchromone

https://huagongshe.com/de/chemical/72304

Identifikatoren & physikalische Daten

CAS No.	574-12-9
Summenformel	C15H10O2
Durchschnittliche Molmasse	222,24 g/mol
Monoisotopische Masse	222,06807956 g/mol
SMILES	O=c1c(-c2ccccc2)coc2ccccc12
InChIKey	GOMNOOKGLZYEJT-UHFFFAOYSA-N
PubChem CID	72304
ChEMBL	CHEMBL366460
ChEBI	CHEBI:18220
EC No.	611-522-9
DTXSID	DTXSID90205986

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	17
Formalladung	0
Komplexität	326
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Lipide	Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
SpringerMaterials Properties	Diamagnetic susceptibility
Schmelzpunkt	148°
Siedepunkt	323.41°C (rough estimate)
Dichte	1.1404 (rough estimate)
Brechungsindex	1.6600 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
Farbe	Pale Yellow to Light Yellow
InChI	InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
InChIKey	GOMNOOKGLZYEJT-UHFFFAOYSA-N
SMILES	C1OC2=CC=CC=C2C(=O)C=1C1=CC=CC=C1
LogP (Verteilungskoeffizient)	3.013 (est)
CAS Datenbank	574-12-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (52 of 52) of all reports.Not ClassifiedAggregated GHS information provided per 52 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Not Classified
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Anwendungen & Verwendung

Verwenden

Isoflavones possess antioxidant properties and antipromotional effects.