O-Methyldauricine
Basic information
- CAS
2202-17-7- Standard SMILES
COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2- InChIKey
UHYCXSGUNAWVBW-CZNDPXEESA-N- Molecular formula
- C39H46N2O6
- Average molar mass
- 638.8 g/mol
- Monoisotopic mass
- 638.33558719
Names & identifiers
- Preferred name
- O-Methyldauricine
- IUPAC
- (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- English name
- O-Methyldauricine
- Molecular formula
- C39H46N2O6
- Molecular weight
- 638.79
Names & synonyms
O-Methyldauricine(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline(1R)-1-((4-(5-(((1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2-methoxyphenoxy)phenyl)methyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolineRefChem:10937002202-17-7(-)-O-MethyldauricineDauricine methyletherCHEMBL501861O,O-DimethylcuspidalineO,O-Dimethyldauricinoline(1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolineC39H46N2O6
Show more names
(1R)-1-[4-(5-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenoxy)benzyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-[[4-[2-methoxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-2-methyl-, (1R)-
Dauricine, O-methyl-Dauricine, O-methyl- (6CI,7CI,8CI)orb2564078(-)-O-Methyldauricine; O,O-Dimethylcuspidaline; O,O-DimethyldauricinolineDTXSID50176486HY-N2612BDBM50292469TN7748
Database identifiers
- CAS
2202-17-7- PubChem CID
- 200521
- DTXSID
DTXSID50176486- ChEMBL
CHEMBL501861- Nikkaji
- J726.317A
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 948
Chemistry & industry
Applications
Uses(-)-O-Methyldauricine is an isoquinoline derivative extracted from plants and display antibacterial activity. In addition, it has been shown to modulate chloroquine resistance in Plasmodium falciparum.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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