17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹?.0?,?.0¹?,¹?]nonadeca-2,4(8),9,15-tetraen-18-yl butanoate
AlkaPlorer ID: AK151137
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] butanoate
Structure
SMILES: CCCC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4
InChI: InChI=1S/C20H23NO5/c1-2-3-17(23)26-20-14(22)6-11-4-5-21-9-12-7-15-16(25-10-24-15)8-13(12)18(20)19(11)21/h6-8,14,18-20,22H,2-5,9-10H2,1H3/t14-,18-,19+,20+/m0/s1
InChIKey: HSXFFYXJBILABT-VVHHDAOASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycoris traubii | Lycoris | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.406
TPSA？: 68.23
MolLogP？: 2.0996
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 | 3.6 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.32 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.41 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | 1.38 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 2.6 | None | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 8.8 | None | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 11.3 | None | 10.1016/j.bmc.2008.10.061 |