Isostrychnopentamine
AlkaPlorer ID: AK053448
Synonym: None
IUPAC Name: (2R,3R,12bS)-3-ethyl-11-[(2S)-1-methylpyrrolidin-2-yl]-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,7a,12,12a,12b-decahydroindolo[2,3-a]quinolizin-10-ol
Structure
SMILES: CC[C@H]1CN2CCC3C4=C(NC3[C@@H]2C[C@@H]1C[C@H]1C2=C(CCN1C)C1=CC=CC=C1N2)C([C@@H]1CCCN1C)=C(O)C=C4
InChI: InChI=1S/C35H47N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h5-6,8-9,11-12,21-22,26,28-30,34,36-37,41H,4,7,10,13-20H2,1-3H3/t21-,22-,26?,28-,29-,30-,34?/m0/s1
InChIKey: MHIOYLXTHAIJLU-FVHQJPTNSA-N
Reference
Antiplasmodial Activity of Alkaloids from Various <i>Strychnos</i> Species
PubChem CID: 44559861
LOTUS: LTS0246228
NPASS: NPC183407
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos usambarensis | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 553.7950000000004
TPSA？: 57.77
MolLogP？: 6.257600000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 10.39 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Homo sapiens | HCT-116 | IC50 | 7470.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.0 | nM | 10.1016/j.bmc.2010.01.068 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 104.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 120.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 152.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 386.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 450.0 | nM | 10.1021/np020070e |
| Plasmodium falciparum | Plasmodium falciparum | IC90 | 628.0 | nM | 10.1021/np020070e |
| None | Unchecked | Ratio IC50 | 49.1 | None | 10.1021/np020070e |
| None | Unchecked | Ratio IC50 | 62.3 | None | 10.1021/np020070e |
| None | Unchecked | Ratio IC50 | 71.8 | None | 10.1021/np020070e |