Saccharochelin B
AlkaPlorer ID: AK328351
Synonym: None
IUPAC Name: N-[(2S)-5-[formyl(hydroxy)amino]-1-[[(2S)-1-[3-[(2S,5S)-5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]-10-methylundecanamide
Structure
SMILES: CC(C)CCCCCCCCC(=O)N[C@@H](CCCN(O)C=O)C(=O)N[C@@H](CO)C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C=O)NC1=O
InChI: InChI=1S/C32H57N7O11/c1-23(2)12-7-5-3-4-6-8-16-28(43)33-24(13-9-17-37(48)21-41)29(44)36-27(20-40)32(47)39(50)19-11-15-26-31(46)34-25(30(45)35-26)14-10-18-38(49)22-42/h21-27,40,48-50H,3-20H2,1-2H3,(H,33,43)(H,34,46)(H,35,45)(H,36,44)/t24-,25-,26-,27-/m0/s1
InChIKey: LZVVUUWVABZKAU-FWEHEUNISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharothrix sp. | Saccharothrix | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 715.8460000000001
TPSA？: 258.25
MolLogP？: -0.0380999999999908
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Escherichia coli | Escherichia coli | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | A549 | IC50 | 13000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | Angiotensin-converting enzyme 2 | Inhibition | nan | % | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | HCT-116 | IC50 | 9700.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | HepG2 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | MCF7 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.1c00155 |