1-Methoxycanthinone
Basic information
- CAS
60755-86-4- Standard SMILES
COc1cnc2ccc(=O)n3c4ccccc4c1c23- InChIKey
LEPXKGXTXIACRO-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422757
Overview
1-methoxycanthinone is an indole alkaloid that is the 1-methoxy derivative of canthinone. Isolated from Ailanthus altissima and Leitneria floridana, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV agent. It is an aromatic ether, an organic heterotetracyclic compound and an indole alkaloid. It is functionally related to a canthin-6-one.
Names & identifiers
- Preferred name
- 1-Methoxycanthinone
- IUPAC
- 8-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Names & synonyms
1-Methoxycanthinone1-Methoxycanthin-6-one60755-86-41-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1-methoxy-1-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one1-Methoxy-indolo[3,2,1-de][1,5]naphthyridin-6-one1-methoxy-canthin-6-one6-methoxyl-canthin-16-oneCHEMBL507610SCHEMBL30094332CHEBI:66700
Show more names
DTXSID00209576Q271353218-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Database identifiers
- CAS
60755-86-4- PubChem CID
- 483522
- DTXSID
DTXSID00209576- ChEMBL
CHEMBL507610- ChEBI
CHEBI:66700- Nikkaji
- J416.256K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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