None
AlkaPlorer ID: AK323796
Synonym: None
IUPAC Name: methyl (2S)-2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-12-ium-2-yl]-3-[(2R,3E)-3-ethylidene-2-(2-hydroxyethyl)-2,4-dihydro-1H-indolo[2,3-a]quinolizin-7-yl]propanoate
Structure
SMILES: C/C=C1/CN2C=C(C[C@H](C(=O)OC)[C@H]3C[C@H]4C5=C(CCN4C/C3=C/C)C3=CC=CC=C3[NH2+]5)C3=C4C=CC=CC4=NC3=C2C[C@@H]1CCO
InChI: InChI=1S/C40H44N4O3/c1-4-24-21-44-23-27(37-30-11-7-9-13-34(30)42-39(37)35(44)19-26(24)15-17-45)18-32(40(46)47-3)31-20-36-38-29(14-16-43(36)22-25(31)5-2)28-10-6-8-12-33(28)41-38/h4-13,23,26,31-32,36,41,45H,14-22H2,1-3H3/p+1/b24-4-,25-5-/t26-,31-,32-,36-/m0/s1
InChIKey: NUIFSJRLSGDWJN-JQSHQTMKSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Picralima nitida | Picralima | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 629.825
TPSA？: 84.2
MolLogP？: 5.634100000000006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.9b01247 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 9500.0 | nM | 10.1021/acs.jnatprod.9b01247 |