3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-4,6,8,15,17,19-hexaene
AlkaPlorer ID: AK154487
Synonym: None
IUPAC Name: (1S)-1,2,3,10,11,12,14,21-octahydroyohimban
Structure
SMILES: C1=CC=C2CN3CCC4C5=CC=CC=C5NC4[C@@H]3CC2=C1
InChI: InChI=1S/C19H20N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1-8,16,18-20H,9-12H2/t16?,18-,19?/m0/s1
InChIKey: JJJTUFPBCJFSOI-AVAKVYKDSA-N
Reference
Antiplasmodial Activity of Alkaloids from Various <i>Strychnos</i> Species
PubChem CID: 44559927
LOTUS: LTS0260918
NPASS: NPC475915
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos johnsonii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 276.38300000000004
TPSA？: 15.27
MolLogP？: 3.3949000000000016
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 11300.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 12900.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 18300.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 42200.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 47400.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 89500.0 | nM | 10.1021/np020070e |