None
AlkaPlorer ID: AK323795
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,3R)-3-ethyl-2-(2-hydroxyethyl)-1,2,3,4-tetrahydroindolo[2,3-a]quinolizin-7-yl]propanoate
Structure
SMILES: C/C=C1/CN2CCC3=C([NH2+]C4=CC=CC=C34)[C@@H]2C[C@@H]1[C@H](CC1=CN2C[C@H](CC)[C@@H](CCO)CC2=C2N=C3C=CC=CC3=C12)C(=O)OC
InChI: InChI=1S/C40H46N4O3/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/h5-13,23-24,26,31-32,36,41,45H,4,14-22H2,1-3H3/p+1/b25-5-/t24-,26-,31-,32-,36-/m0/s1
InChIKey: ZDAGWTALNJOPFR-FHUDBLIKSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Picralima nitida | Picralima | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 631.8410000000003
TPSA？: 84.2
MolLogP？: 5.714000000000008
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 | 8700.0 | nM | 10.1021/acs.jnatprod.9b01247 |