Saccharochelin E
AlkaPlorer ID: AK328354
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]tetradecanamide
Structure
SMILES: CCCCCCCCCCCCCC(=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/C34H61N7O11/c1-2-3-4-5-6-7-8-9-10-11-12-19-30(45)35-26(16-13-20-39(50)24-43)31(46)38-29(23-42)34(49)41(52)22-15-18-28-33(48)36-27(32(47)37-28)17-14-21-40(51)25-44/h24-29,42,50-52H,2-23H2,1H3,(H,35,45)(H,36,48)(H,37,47)(H,38,46)/t26-,27-,28-,29-/m0/s1
InChIKey: ZEZMMLAWSYXXQV-DZUOILHNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharothrix sp. | Saccharothrix | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 743.9
TPSA？: 258.25
MolLogP？: 0.8862000000000085
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 | 20000.0 | nM | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | Angiotensin-converting enzyme 2 | Inhibition | nan | % | 10.1021/acs.jnatprod.1c00155 |
| Homo sapiens | HCT-116 | IC50 | 20000.0 | 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 |