None
AlkaPlorer ID: AK322969
Synonym: None
IUPAC Name: (1S,18S,19S)-18-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-one
Structure
SMILES: O=C1C=C2CCN3CC4=CC5=C(C=C4[C@H]([C@@H]1O)[C@@H]23)OCO5
InChI: InChI=1S/C16H15NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,14-16,19H,1-2,6-7H2/t14-,15+,16+/m0/s1
InChIKey: HVPDCMMHMJQOAL-ARFHVFGLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 285.2990000000001
TPSA？: 59.000000000000014
MolLogP？: 0.9568
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Dengue virus | Dengue virus | EC50 | 400.0 | nM | 10.1016/j.ejmech.2019.05.010 |
| Edwardsiella ictaluri | Edwardsiella ictaluri | MIC | 26.0 | ug.mL-1 | 10.1016/j.bmcl.2017.09.052 |
| Flavobacterium columnare | Flavobacterium columnare | MIC | 26.0 | ug.mL-1 | 10.1016/j.bmcl.2017.09.052 |
| Homo sapiens | A549 | GI50 | 4000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | A549 | IC50 | 9900.0 | nM | 10.1021/jm901031h |
| Homo sapiens | MCF7 | GI50 | 35000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | PC-3 | GI50 | 92000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Homo sapiens | SK-MEL-28 | IC50 | 10000.0 | nM | 10.1021/jm901031h |
| Homo sapiens | T98G | GI50 | 38000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Mus musculus | B16-F10 | GI50 | 16000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| Mus musculus | B16-F10 | IC50 | 10000.0 | nM | 10.1021/jm901031h |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 14700.0 | nM | 10.1016/j.bmc.2010.05.023 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 26.0 | ug.mL-1 | 10.1016/j.bmcl.2017.09.052 |
| None | NON-PROTEIN TARGET | GI50 | 3000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| None | NON-PROTEIN TARGET | GI50 | 45000.0 | nM | 10.1016/j.bmc.2011.09.051 |
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/jm901031h |