17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹?.0?,?.0¹?,¹?]nonadeca-2,4(8),9,15-tetraen-18-yl propanoate
AlkaPlorer ID: AK149827
Synonym: None
IUPAC Name: [(1S,17S,18S,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] propanoate
Structure
SMILES: CCC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4
InChI: InChI=1S/C19H21NO5/c1-2-16(22)25-19-13(21)5-10-3-4-20-8-11-6-14-15(24-9-23-14)7-12(11)17(19)18(10)20/h5-7,13,17-19,21H,2-4,8-9H2,1H3/t13-,17-,18+,19+/m0/s1
InChIKey: UEHWEXPUCDLSTI-NOENWEJRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycoris traubii | Lycoris | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.379
TPSA？: 68.23
MolLogP？: 1.7094999999999996
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | IC50 | 4.99 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.3 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.37 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | 1.34 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 3.7 | None | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 13.5 | None | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 16.6 | None | 10.1016/j.bmc.2008.10.061 |