Usambarine
AlkaPlorer ID: AK014926
Synonym: None
IUPAC Name: (2S,3R,12bS)-3-ethenyl-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
Structure
SMILES: C=C[C@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1C[C@H]1C2=C(CCN1C)C1=CC=CC=C1N2
InChI: InChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3/t19-,20-,27-,28-/m0/s1
InChIKey: JICXOAIUPFUZPK-DXBSEXLMSA-N
Reference
In Vitro Activities of <i>Strychnos</i> Alkaloids and Extracts against <i>Plasmodium falciparum</i>
PubChem CID: 442121
CAS: 35226-29-0
LOTUS: LTS0118878
NPASS: NPC229173
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos usambarensis | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 450.6300000000003
TPSA？: 38.06
MolLogP？: 5.989800000000005
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 0.46 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.0 | nM | 10.1016/j.bmc.2010.01.068 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2360.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2500.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | nan | None | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 7290.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 9210.0 | nM | 10.1021/np020070e |