Oxachelin C
AlkaPlorer ID: AK047729
Synonym: None
IUPAC Name: [(2S)-2-amino-3-[[(2S)-1-[[(2R)-5-[formyl(hydroxy)amino]-1-[[3-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-3-oxopropyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-hydroxybenzoate
Structure
SMILES: N[C@@H](COC(=O)C1=CC=CC=C1O)C(O)=N[C@@H](CO)C(O)=N[C@H](CCCN(O)C=O)C(O)=NCCC(O)=N[C@@H]1CCCN(O)C1=O
InChI: InChI=1S/C27H39N7O12/c28-17(14-46-27(43)16-5-1-2-8-21(16)37)23(39)32-20(13-35)25(41)31-18(6-3-11-33(44)15-36)24(40)29-10-9-22(38)30-19-7-4-12-34(45)26(19)42/h1-2,5,8,15,17-20,35,37,44-45H,3-4,6-7,9-14,28H2,(H,29,40)(H,30,38)(H,31,41)(H,32,39)/t17-,18+,19+,20-/m0/s1
InChIKey: YZKYHBAHMJNMBL-NMLBUPMWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. RM-14-6 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 653.6460000000001
TPSA？: 304.22
MolLogP？: -0.1700999999999949
Number of H-Donors: 9
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Homo sapiens | A549 | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Micrococcus luteus | Micrococcus luteus | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Salmonella enterica | Salmonella enterica | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| None | Unchecked | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |