Worenine ion
Grundinformationen
- CAS
38763-29-0- Standard-SMILES
Cc1c2[n+](cc3cc4c(cc13)OCO4)CCc1cc3c(cc1-2)OCO3- InChIKey
LCXREBMNASQAOC-UHFFFAOYSA-N- Summenformel
- C20H16NO4+
- Durchschnittliche Molmasse
- 334,3 g/mol
- Monoisotopische Masse
- 334,10793299
Überblick
Worenine is an alkaloid.
Namen und Bezeichner
- Bevorzugter Name
- Worenine ion
- IUPAC
- 24-methyl-5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene
- Englischer Name
- Worenine
- Summenformel
- C20H16NO4+
- Molmasse
- 334.35
Namen und Synonyme
Worenine38763-29-0Worenine ionWorenine cationSTF4A6F4EH5,6-Dihydro-14-methylbis(1,3)benzodioxolo(5,6-a:5,6-g)quinoliziniumBis(1,3)benzodioxolo(5,6-a:5',6'-g)quinolizinium, 5,6-dihydro-14-methyl-RefChem:194965Worenine [MI]UNII-STF4A6F4EH24-methyl-5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaeneWorenin
Weitere Namen anzeigen
Berberine MethylBerberine Impurity 65,6-Dihydro-14-methyl-bis[1,3]benzodioxolo[5,6-a:5',6'-g]quinolizinium
Worenine [M+H]+orb1222297orb1690897SCHEMBL2584351SCHEMBL31357437CHEBI:80913C20H16NO4+HY-N1935
Datenbank-Bezeichner
- CAS
38763-29-0- PubChem CID
- 20055073
- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 40,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 25
- Formalladung
- 1
- Komplexität
- 530
Physikochemische Eigenschaften
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Cryst.
Chemie und Industrie
Anwendungen
BeschreibungThis quaternary alkaloid is present in Cop tis japonica and has been isolated as the tetrahydro base, colourless prisms from EtOH with m.p. 2l2-3°C, oxidized by iodine in EtOH to worenine iodide. The latter forms yellow crystals from which the corresponding chloride may be obtained in the form of orange-yellow prisms, m.p. 295°C (dec.).
VerwendenWorenine is used in the a flurophore switched probe which aids in correction of an abasic site (AP site) caused by the removal of a damaged base in DNA
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