Melosmine
Basic information
- CAS
81525-68-0- Standard SMILES
COc1c(O)c2c3c(nccc3c1OC)C(C)(C)c1cc(O)ccc1-2- InChIKey
CUEIWVZJOPCMPT-UHFFFAOYSA-N- Molecular formula
- C20H19NO4
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.13140809
Overview
Melosmine has been reported in Guatteria megalophylla with data available.
Names & identifiers
- Preferred name
- Melosmine
- IUPAC
- 14,15-dimethoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,16-diol
Names & synonyms
Melosmine81525-68-07H-Dibenzo(de,g)quinoline-1,9-diol, 2,3-dimethoxy-7,7-dimethyl-14,15-dimethoxy-8,8-dimethyl-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,16-diol7H-Dibenzo[de,g]quinoline-1,9-diol, 2,3-dimethoxy-7,7-dimethyl-14,15-dimethoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,16-diolRefChem:156428CHEMBL2579582,3-dimethoxy-7,7-dimethyl-7H-dibenzo[de,g]quinoline-1,9-diolEEA8FZ6FQZSCHEMBL29422650SCHEMBL30748255
Show more names
DTXSID001002027BDBM502022901-Hydroxy-2,3-dimethoxy-7,7-dimethyl-6H-dibenzo[de,g]quinolin-9(7H)-one
Database identifiers
- CAS
81525-68-0- PubChem CID
- 72329
- DTXSID
DTXSID001002027- ChEMBL
CHEMBL257958- UNII
- EEA8FZ6FQZ
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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