Desbromoarborescidine A
AlkaPlorer ID: AK007523
Synonym: None
IUPAC Name: (12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
Structure
SMILES: C1=CC=C2C3=C(NC2=C1)[C@@H]1CCCCN1CC3
InChI: InChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,14,16H,3-4,7-10H2/t14-/m0/s1
InChIKey: OURDZMSSMGUMKR-AWEZNQCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dipterocarpus gracilis | Dipterocarpus | Dipterocarpaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stephania japonica | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 226.3229999999999
TPSA？: 19.03
MolLogP？: 3.251000000000001
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | AGS | IC50 | 50400.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | HL-60 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | J82 | IC50 | 90200.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | KB | Activity | 100.0 | % | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | MRC5 | IC50 | 82500.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Homo sapiens | SK-MES-1 | IC50 | 65100.0 | nM | 10.1016/j.ejmech.2009.04.005 |
| Rattus norvegicus | Serotonin 2b (5-HT2b) receptor | -Log KB | 6.66 | None | 10.1021/jm960062t |