Fagaronine
Basic information
- CAS
52259-65-1- Standard SMILES
COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O- InChIKey
OOKZVPUCASIEBL-UHFFFAOYSA-O- Molecular formula
- C21H20NO4+
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.13923312
Overview
Fagaronine is a benzophenanthridine alkaloid. It has a role as a mutagen.
Names & identifiers
- Preferred name
- Fagaronine
- IUPAC
- 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol
Names & synonyms
Fagaronine52259-65-159HNE8RJS63,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-olCHEBI:28954Benzo(c)phenanthridinium, 2-hydroxy-3,8,9-trimethoxy-5-methyl-DTXSID302002982-hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridinium2-HYDROXY-3,8,9-TRIMETHOXY-5-METHYLBENZO(C)PHENANTHRIDINIUM3,8,9-trimethoxy-5-methylbenzo(c)phenanthridin-5-ium-2-olRefChem:139875DTXCID30122789
Show more names
3,8,9-trimethoxy-5-methyl-5H-benzo(c)phenanthridin-5-ium-2-one3,8,9-trimethoxy-5-methylbenzo(c)phenanthridin-5-ium-2-ol;chloride2-Hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-iumBRN 1554609UNII-59HNE8RJS6Neuro_000091SCHEMBL424549CHEMBL121087
Database identifiers
- CAS
52259-65-1- PubChem CID
- 40305
- DTXSID
DTXSID30200298- ChEMBL
CHEMBL121087、CHEMBL282622- ChEBI
CHEBI:28954- UNII
- 59HNE8RJS6
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 489
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
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Related reactions
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No reaction records under the current filter.
Compound notes
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