Chaiyaphumine C
AlkaPlorer ID: AK058834
Synonym: None
IUPAC Name: N-[(3R,6R,9S,10R,13S,16S)-6-benzyl-13-(1H-indol-3-ylmethyl)-3,10-dimethyl-2,5,8,12,15-pentaoxo-11-oxa-1,4,7,14-tetrazabicyclo[14.3.0]nonadecan-9-yl]propanamide
Structure
SMILES: CCC(O)=N[C@@H]1C(O)=N[C@H](CC2=CC=CC=C2)C(O)=N[C@H](C)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)O[C@@H]1C
InChI: InChI=1S/C35H42N6O7/c1-4-29(42)40-30-21(3)48-35(47)27(18-23-19-36-25-14-9-8-13-24(23)25)39-32(44)28-15-10-16-41(28)34(46)20(2)37-31(43)26(38-33(30)45)17-22-11-6-5-7-12-22/h5-9,11-14,19-21,26-28,30,36H,4,10,15-18H2,1-3H3,(H,37,43)(H,38,45)(H,39,44)(H,40,42)/t20-,21-,26-,27+,28+,30+/m1/s1
InChIKey: QSPXSYVWKDXNNL-DXMRSHBNSA-N
Reference
Antiparasitic Chaiyaphumines from Entomopathogenic <i>Xenorhabdus </i>sp<i>.</i> PB61.4
PubChem CID: 90670796
LOTUS: LTS0049841
NPASS: NPC478158
{NPAtlas: NPA014949
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xenorhabdus sp. PB61.4 | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Xenorhabdus sp. | Xenorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 658.7560000000003
TPSA？: 192.76
MolLogP？: 4.619700000000004
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np4007525 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np4007525 |
| Micrococcus luteus | Micrococcus luteus | Activity | nan | None | 10.1021/np4007525 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 15400.0 | nM | 10.1021/np4007525 |
| Rattus norvegicus | L6 | IC50 | 151000.0 | nM | 10.1021/np4007525 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np4007525 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 77580.0 | nM | 10.1021/np4007525 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 98940.0 | nM | 10.1021/np4007525 |