None
AlkaPlorer ID: AK324230
Synonym: None
IUPAC Name: (2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-(2-methylpropyl)oxan-2-yl]-2-hydroxy-N-[(3S,13S,19R)-17-hydroxy-8,13,14-trimethyl-2,6,9,12,15-pentaoxo-4-propan-2-yl-5-oxa-1,8,11,14,17,23-hexazabicyclo[17.4.0]tricosan-3-yl]propanamide
Structure
SMILES: CC[C@H]1O[C@@](O)([C@](C)(O)C(O)=N[C@@H]2C(=O)N3NCCC[C@@H]3CN(O)CC(=O)N(C)[C@@H](C)C(O)=NCC(=O)N(C)CC(=O)OC2C(C)C)CC[C@@H]1CC(C)C
InChI: InChI=1S/C36H63N7O11/c1-10-26-24(16-21(2)3)13-14-36(51,54-26)35(7,50)34(49)39-30-31(22(4)5)53-29(46)20-40(8)27(44)17-37-32(47)23(6)41(9)28(45)19-42(52)18-25-12-11-15-38-43(25)33(30)48/h21-26,30-31,38,50-52H,10-20H2,1-9H3,(H,37,47)(H,39,49)/t23-,24+,25+,26+,30-,31?,35+,36+/m0/s1
InChIKey: QSECABMNBNWJSW-LTDKVBDYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 769.938
TPSA？: 237.6
MolLogP？: 1.0324000000000104
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | THP-1 | IC50 | 1050.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| Leishmania infantum | Leishmania infantum | IC50 | 2190.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| Paenibacillus larvae | Paenibacillus larvae | MIC | 550.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 2200.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| None | Unchecked | Ratio IC50 | 0.47 | None | 10.1021/acs.jnatprod.9b01011 |