Basic information
- CAS
5140-38-5- Standard SMILES
COc1c(OC)c2c3c(nccc3c1OC)C(=O)c1ccccc1-2- InChIKey
WXGQWNXTPSGPIX-UHFFFAOYSA-N- Molecular formula
- C19H15NO4
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.10010796
Overview
7H-Dibenzo(de,g)quinolin-7-one, 1,2,3-trimethoxy- has been reported in Aquilegia oxysepala, Atherosperma moschatum, and other organisms with data available.
Names & identifiers
- Preferred name
- O-Methylmoschatoline
- IUPAC
- 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
- English name
- Homomoschatoline
- Molecular formula
- C19H15NO4
- Molecular weight
- 321.33
Names & synonyms
HomomoschatolineO-Methylmoschatoline5140-38-5O-Methyl-moschatoline7H-Dibenzo(de,g)quinolin-7-one, 1,2,3-trimethoxy-DTXSID7019939414,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one7H-Dibenzo[de,g]quinolin-7-one, 1,2,3-trimethoxy-14,15,16-trimethoxy-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-oneRefChem:146750DTXCID00121885610-658-6
Show more names
Liridine1,2,3-Trimethoxy-7H-dibenzo[de,g]quinolin-7-oneO-MethylisomoschatolineMoschatoline, O-methyl-CHEMBL227533orb1702197SCHEMBL32690129SCHEMBL32690201
Database identifiers
- CAS
5140-38-5- PubChem CID
- 145779
- DTXSID
DTXSID70199394- ChEMBL
CHEMBL227533
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Melting point
- 271 · 271-273 °C
- Boiling point
- 528.4 · 528.4±45.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 2.43 · 2.43±0.20(Predicted)
Chemistry & industry
Applications
DescriptionThis oxo-proaporphine alkaloid has now been discovered in both A buta imene and A. rufeocens, being found chiefly in the stems.
UsesO-Methylmoschatoline (Liridine) is a compound with notable bioactivity, exhibiting potential applications in medicinal chemistry.
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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