Bacilotetrin B
AlkaPlorer ID: AK110697
Synonym: None
IUPAC Name: 3-[(3S,6S,9S,12S,16R)-16-(6,8-dimethyldecyl)-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)CC(C)CCCCC[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/C38H68N4O8/c1-10-26(8)21-27(9)14-12-11-13-15-28-22-33(43)39-30(18-23(2)3)35(46)41-32(20-25(6)7)37(48)42-31(19-24(4)5)36(47)40-29(38(49)50-28)16-17-34(44)45/h23-32H,10-22H2,1-9H3,(H,39,43)(H,40,47)(H,41,46)(H,42,48)(H,44,45)/t26?,27?,28-,29+,30+,31+,32+/m1/s1
InChIKey: RCQCIWWLTXGNOL-SMSJGLPFSA-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: 708.9820000000002
TPSA？: 193.96
MolLogP？: 8.628200000000007
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 | 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 |