Cimitrypazepine; N5-Oxide
AlkaPlorer ID: AK292479
Synonym: Fargesine
IUPAC Name: 10-methyl-10-oxido-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-7-ol
Structure
SMILES: C[N+]1([O-])CCC2=CNC3=CC=C(O)C(=C23)C1
InChI: InChI=1S/C12H14N2O2/c1-14(16)5-4-8-6-13-10-2-3-11(15)9(7-14)12(8)10/h2-3,6,13,15H,4-5,7H2,1H3
InChIKey: WVMOSIYLIYRNPY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psychotria nemorosa | Psychotria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 218.256
TPSA？: 59.08
MolLogP？: 1.874
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | nan | % | 10.1021/acs.jnatprod.9b00469 |
| Equus caballus | Cholinesterase | Inhibition | 41.0 | % | 10.1021/acs.jnatprod.9b00469 |
| Homo sapiens | Monoamine oxidase A | IC50 | 1400.0 | nM | 10.1021/acs.jnatprod.9b00469 |
| Homo sapiens | Monoamine oxidase B | Inhibition | 27.0 | % | 10.1021/acs.jnatprod.9b00469 |