None
AlkaPlorer ID: AK324231
Synonym: None
IUPAC Name: (2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-(2-methylbutyl)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: CCC(C)C[C@H]1CC[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)O[C@@H]1CC
InChI: InChI=1S/C37H65N7O11/c1-10-23(5)17-25-14-15-37(52,55-27(25)11-2)36(7,51)35(50)40-31-32(22(3)4)54-30(47)21-41(8)28(45)18-38-33(48)24(6)42(9)29(46)20-43(53)19-26-13-12-16-39-44(26)34(31)49/h22-27,31-32,39,51-53H,10-21H2,1-9H3,(H,38,48)(H,40,50)/t23?,24-,25+,26+,27+,31-,32?,36+,37+/m0/s1
InChIKey: ZWXNXUZSYYHRGX-XYKNJTGKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 783.965
TPSA？: 237.6
MolLogP？: 1.4225000000000103
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 | 700.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| Leishmania infantum | Leishmania infantum | IC50 | 1030.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| Paenibacillus larvae | Paenibacillus larvae | MIC | 540.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1080.0 | nM | 10.1021/acs.jnatprod.9b01011 |
| None | Unchecked | Ratio IC50 | 0.67 | None | 10.1021/acs.jnatprod.9b01011 |