17-(butanoyloxy)-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: AK151017
Synonym: None
IUPAC Name: [(1S,17S,18S,19S)-18-butanoyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl] butanoate
Structure
SMILES: CCCC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CCC(=C[C@@H]1OC(=O)CCC)[C@H]23)OCO4
InChI: InChI=1S/C24H29NO6/c1-3-5-20(26)30-19-9-14-7-8-25-12-15-10-17-18(29-13-28-17)11-16(15)22(23(14)25)24(19)31-21(27)6-4-2/h9-11,19,22-24H,3-8,12-13H2,1-2H3/t19-,22-,23+,24+/m0/s1
InChIKey: XFPKJBMPXIIKGU-ZMUKGBGYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycoris traubii | Lycoris | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.4970000000002
TPSA？: 74.3
MolLogP？: 3.4506000000000023
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.53 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.67 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 21.7 | None | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 27.5 | None | 10.1016/j.bmc.2008.10.061 |