2-[5-(3-Methylbut-2-enoxy)-2-[3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoyl]phenoxy]acetic acid

solon · isoprenylchalcone · su88 · Sofacone · SOFALCONE · SOFALCONE JP · (E)-Sofalcone · Mr. Method ketone

Identifikatoren & physikalische Daten

CAS No.	64506-49-6
Summenformel	C27H30O6
Durchschnittliche Molmasse	450,5 g/mol
Monoisotopische Masse	450,20423867 g/mol
SMILES	CC(C)=CCOc1ccc(C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1
InChIKey	GFWRVVCDTLRWPK-UHFFFAOYSA-N
PubChem CID	5249
DTXSID	DTXSID5023586

Chemische & physikalische Eigenschaften

XLogP	6,2
Polarare Oberfläche (TPSA)	82,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	12
Schwere Atome	33
Formalladung	0
Komplexität	706
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	143-144°
Siedepunkt	478.6°C (rough estimate)
Dichte	1.1362 (rough estimate)
Brechungsindex	1.4870 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	2.98±0.10(Predicted)
Farbe	Light Yellow
InChI	InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)
InChIKey	GFWRVVCDTLRWPK-UHFFFAOYSA-N
SMILES	C(O)(=O)COC1=CC(OC/C=C(\C)/C)=CC=C1C(=O)C=CC1=CC=C(OC/C=C(\C)/C)C=C1
CAS Datenbank	64506-49-6(CAS DataBase Reference)

Sicherheit & Vorschriften

Toxizität	LD50 in mice, rats: >10 g/kg orally (Tarumoto)

Anwendungen & Verwendung

Beschreibung

Sofalcone is a synthetic antiulcer agent related to sophoradin, the active principle of the Chinese medicinal plant, Sophora subprostata. It is suggested to act via a strengthening of the mucosal barrier through an increase in blood flow and stimulation of the synthesis of sulfated mucopolysaccharides.

Verwenden

Sofalcone is a substituted chalcone with anti-ulcer activity.

HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 5249Erstellt: 4. November 2026