Saccharochelin A
AlkaPlorer ID: AK328350
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]dodecanamide
Structure
SMILES: CCCCCCCCCCCC(=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/c1-2-3-4-5-6-7-8-9-10-17-28(43)33-24(14-11-18-37(48)22-41)29(44)36-27(21-40)32(47)39(50)20-13-16-26-31(46)34-25(30(45)35-26)15-12-19-38(49)23-42/h22-27,40,48-50H,2-21H2,1H3,(H,33,43)(H,34,46)(H,35,45)(H,36,44)/t24-,25-,26-,27-/m0/s1
InChIKey: CIFNSBSFZQKJLD-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？: 0.1060000000000088
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 | 11000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | Angiotensin-converting enzyme 2 | Inhibition | nan | % | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | HCT-116 | IC50 | 11000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | HepG2 | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | MCF7 | IC50 | 17000.0 | 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 |
| None | No relevant target | Activity | nan | None | 10.1021/acs.jnatprod.1c00155 |