Dioncophylline A
Basic information
- CAS
60142-17-8- Standard SMILES
COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12- InChIKey
MXIZZLBQRBAZEX-HUUCEWRRSA-N- Molecular formula
- C24H27NO3
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.19909372
Overview
Dioncophylline A is an isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 7-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 4,5-dimethoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antifungal, antimalarial, antineoplastic and molluscicidal activites. It has a role as a metabolite, a molluscicide, an antifungal agent and an antimalarial. It is an isoquinoline alkaloid, a member of isoquinolines, a member of methylnaphthalenes, a methoxynaphthalene and a biaryl.
Names & identifiers
- Preferred name
- Dioncophylline A
- IUPAC
- (1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Names & synonyms
Dioncophylline A60142-17-8(1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-olCHEBI:31504RefChem:134518CHEMBL410597SCHEMBL30389761CHEBI:66272DTXSID209755697-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Database identifiers
- CAS
60142-17-8- PubChem CID
- 443773
- DTXSID
DTXSID20975569- ChEMBL
CHEMBL410597- ChEBI
CHEBI:31504- Nikkaji
- J1.153.593C、J410.486B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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