17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹?.0?,?.0¹?,¹?]nonadeca-2,4(8),9,15-tetraen-18-yl 3-hydroxybutanoate
AlkaPlorer ID: AK143543
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] (3S)-3-hydroxybutanoate
Structure
SMILES: C[C@H](O)CC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4
InChI: InChI=1S/C20H23NO6/c1-10(22)4-17(24)27-20-14(23)5-11-2-3-21-8-12-6-15-16(26-9-25-15)7-13(12)18(20)19(11)21/h5-7,10,14,18-20,22-23H,2-4,8-9H2,1H3/t10-,14-,18-,19+,20+/m0/s1
InChIKey: AMVDLCRDRNPXIY-SGPJTXGESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycoris traubii | Lycoris | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.40500000000014
TPSA？: 88.46000000000001
MolLogP？: 1.0703999999999998
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | IC50 | 8.11 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.45 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.6 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | 1.9 | ug.mL-1 | 10.1016/j.bmc.2008.10.061 |
| None | Unchecked | Ratio IC50 | 4.3 | 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 | 18.0 | None | 10.1016/j.bmc.2008.10.061 |