Worenine ion
Basic information
- CAS
38763-29-0- Standard SMILES
Cc1c2[n+](cc3cc4c(cc13)OCO4)CCc1cc3c(cc1-2)OCO3- InChIKey
LCXREBMNASQAOC-UHFFFAOYSA-N- Molecular formula
- C20H16NO4+
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.10793299
Overview
Worenine is an alkaloid.
Names & identifiers
- Preferred 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
- English name
- Worenine
- Molecular formula
- C20H16NO4+
- Molecular weight
- 334.35
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
38763-29-0- PubChem CID
- 20055073
- ChEBI
CHEBI:80913- UNII
- STF4A6F4EH
- Nikkaji
- J490.580F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 530
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- FDA UNII
- 4 A6F4EH · STF4A6F4EH
Chemistry & industry
Applications
DescriptionThis 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.).
UsesWorenine 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
Additional notes
DefinitionChEBI: Worenine is an alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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