Isoderrone
Grundinformationen
- CAS
121747-89-5- Standard-SMILES
CC1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O1- InChIKey
WTNXJYOYGPGIJK-UHFFFAOYSA-N- Summenformel
- C20H16O5
- Durchschnittliche Molmasse
- 336,3 g/mol
Überblick
Isoderrone is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5 and 7 and a 6,6-dimethyl-3,6-dihydro-2H-pyran across positions 3' and 4' respectively. It has been isolated from Ficus mucuso. It has a role as a plant metabolite. It is functionally related to an isoflavone.
Namen und Bezeichner
- Bevorzugter Name
- Isoderrone
- IUPAC
- 3-(2,2-dimethylchromen-6-yl)-5,7-dihydroxychromen-4-one
- Englischer Name
- Isoderrone
- Summenformel
- C20H16O5
- Molmasse
- 336.34
Namen und Synonyme
isoderrone121747-89-53-(2,2-dimethylchromen-6-yl)-5,7-dihydroxychromen-4-oneCHEBI:697485,7-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone5,7-dihyroxy-3-(2',2'-dimethyl-2H'-chromen-7'-yl)chroman-4-one5,7-dihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bi-1-benzopyran]-4-one5,7-Dihydroxy-6'',6''-dimethylpyrano(2'',3'':4',3')isoflavone5,7-dihydroxy-2',2'-dimethyl-2'H,4H-(3,6'-bi-1-benzopyran)-4-oneRefChem:1492735,7-dihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bichromen]-4-oneorb1682360
Weitere Namen anzeigen
3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-
CHEMBL4083295HY-N3492WEA74789LMPK12050207TN4279AKOS032962673FS-7991DA-54413
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 76 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 607
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physikochemische Eigenschaften
- Siedepunkt
- 562.1 · 562.1±50.0 °C(Predicted)
- Dichte
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- cryst.
- pka
- 6.49 · 6.49±0.20(Predicted)
- Farbe
- Yellow
Chemie und Industrie
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