Bacilotetrin A
AlkaPlorer ID: AK110692
Synonym: None
IUPAC Name: 3-[(3S,6S,9S,12S,16R)-16-(8-methyldecyl)-6,9,12-tris(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-3-yl]propanoic acid
Structure
SMILES: CCC(C)CCCCCCC[C@@H]1CC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=O)O)C(=O)O1
InChI: InChI=1S/C37H66N4O8/c1-9-26(8)15-13-11-10-12-14-16-27-22-32(42)38-29(19-23(2)3)34(45)40-31(21-25(6)7)36(47)41-30(20-24(4)5)35(46)39-28(37(48)49-27)17-18-33(43)44/h23-31H,9-22H2,1-8H3,(H,38,42)(H,39,46)(H,40,45)(H,41,47)(H,43,44)/t26?,27-,28+,29+,30+,31+/m1/s1
InChIKey: UBOCYUXOELCZII-REVKYEQOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 694.9550000000002
TPSA？: 193.96
MolLogP？: 8.382200000000008
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Prostatic carcinoma cell | Activity | nan | None | 10.1021/acs.jnatprod.7b00356 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00356 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00356 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 32.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00356 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/acs.jnatprod.7b00356 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.7b00356 |