(-)-Butin
Grundinformationen
- CAS
492-14-8- Standard-SMILES
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21- InChIKey
MJBPUQUGJNAPAZ-AWEZNQCLSA-N- Summenformel
- C15H12O5
- Durchschnittliche Molmasse
- 272,25 g/mol
- Monoisotopische Masse
- 272,06847348
Überblick
Butin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3', 4' and 7. It is found in Acacia mearnsii, Vernonia anthelmintica and Dalbergia odorifera and has a protective affect against oxidative stress-induced mitochondrial dysfunction. It has a role as an antioxidant, a metabolite and a protective agent. It is a member of 4'-hydroxyflavanones and a trihydroxyflavanone.
Namen und Bezeichner
- Bevorzugter Name
- (-)-Butin
- IUPAC
- (2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
- Englischer Name
- Butin
- Summenformel
- C15H12O5
- Molmasse
- 272.25
Namen und Synonyme
Butin(-)-Butin492-14-87,3',4'-Trihydroxyflavanone(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-oneS23T8BI9DDCHEBI:27725DTXSID601977084H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (S)-RefChem:122159DTXCID80120199UNII-S23T8BI9DD
Weitere Namen anzeigen
(-)-Butin, 10 mM in DMSO(S)-7,3',4'-Trihydroxyflavanone(2S)-7,3',4'-Trihydroxyflavanone7, 3', 4'-trihydroxydihydroflavoneinhibit,Inhibitor,()Butin,( ) Butinbutin (7, 3′, 4′-trihydroxydihydroflavone)PCL-PEG-PCL diacrylate (PCL average Mn800, PEG average Mn4000)(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one(2S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one
SCHEMBL68554CHEMBL451168orb1217978orb1297436SCHEMBL29929348HY-N6020BDBM50009647LMPK12140075
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 371
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
LogP1.94
Physikochemische Eigenschaften
- Schmelzpunkt
- 224 · 224-226℃
- Siedepunkt
- 582.4 · 582.4±50.0 °C(Predicted)
- Dichte
- 1.485 · 1.485
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Powder
- pka
- 7.69 · 7.69±0.40(Predicted)
- Farbe
- Yellow to brown
Chemie und Industrie
Anbieter70 Anbieter
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