None
AlkaPlorer ID: AK324205
Synonym: None
IUPAC Name: (3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
Structure
SMILES: CCC(C)[C@@H]1N=C(O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N(C)C)OC2=CC=C(/C=C\N=C1O)C=C2
InChI: InChI=1S/C32H39N5O4/c1-5-20(2)28-30(38)33-16-14-21-10-12-23(13-11-21)41-27-15-17-37(29(27)31(39)35-28)32(40)26(36(3)4)18-22-19-34-25-9-7-6-8-24(22)25/h6-14,16,19-20,26-29,34H,5,15,17-18H2,1-4H3,(H,33,38)(H,35,39)/b16-14-/t20?,26-,27-,28-,29-/m0/s1
InChIKey: FVNFFLRFGDISJF-RSTKNPTGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus oxyphylla | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 557.6950000000002
TPSA？: 113.75
MolLogP？: 5.001100000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | IC50 | 64000.0 | nM | 10.1021/acs.jnatprod.6b00633 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7300.0 | nM | 10.1021/acs.jnatprod.6b00633 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 13600.0 | nM | 10.1021/acs.jnatprod.6b00633 |