Saccharochelin D
AlkaPlorer ID: AK328353
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]-11-methyldodecanamide
Structure
SMILES: CC(C)CCCCCCCCCC(=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/C33H59N7O11/c1-24(2)13-8-6-4-3-5-7-9-17-29(44)34-25(14-10-18-38(49)22-42)30(45)37-28(21-41)33(48)40(51)20-12-16-27-32(47)35-26(31(46)36-27)15-11-19-39(50)23-43/h22-28,41,49-51H,3-21H2,1-2H3,(H,34,44)(H,35,47)(H,36,46)(H,37,45)/t25-,26-,27-,28-/m0/s1
InChIKey: JFOVHZPBEYQQMH-LJWNLINESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharothrix sp. | Saccharothrix | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 729.873
TPSA？: 258.25
MolLogP？: 0.3520000000000088
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 | 7700.0 | 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 |
| None | No relevant target | Activity | nan | None | 10.1021/acs.jnatprod.1c00155 |