None
AlkaPlorer ID: AK323873
Synonym: None
IUPAC Name: None
Structure
SMILES: C[NH+]1C=C2C(=[OH+])C=CC3=C2C(=C[N-]3)CC1
InChI: InChI=1S/C12H12N2O/c1-14-5-4-8-6-13-10-2-3-11(15)9(7-14)12(8)10/h2-3,6-7H,4-5H2,1H3,(H,13,15)/p+1
InChIKey: PIFLFSPRGMXNDL-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psychotria nemorosa | Psychotria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 201.249
TPSA？: 39.94
MolLogP？: -0.3727999999999998
Number of H-Donors: 1
Number of H-Acceptors: 0
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 | 21.0 | % | 10.1021/acs.jnatprod.9b00469 |
| Homo sapiens | Monoamine oxidase A | IC50 | 900.0 | nM | 10.1021/acs.jnatprod.9b00469 |
| Homo sapiens | Monoamine oxidase B | Inhibition | 31.0 | % | 10.1021/acs.jnatprod.9b00469 |