Coralmycin A
AlkaPlorer ID: AK323962
Synonym: None
IUPAC Name: 4-[[4-[[4-[[(2S,3R)-4-amino-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoic acid
Structure
SMILES: CO[C@@H](C(=N)O)[C@H](NC(=O)C1=CC=C(N=C(O)C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)NC1=CC=C(C(=O)NC2=CC=C(C(O)=NC3=CC=C(C(=O)O)C(O)=C3OC(C)C)C(O)=C2OC(C)C)C=C1
InChI: InChI=1S/C46H45N7O15/c1-22(2)67-37-32(20-18-30(35(37)54)44(60)51-33-21-19-31(46(62)63)36(55)38(33)68-23(3)4)50-42(58)24-6-14-28(15-7-24)49-45(61)34(39(66-5)40(47)56)52-43(59)25-8-12-27(13-9-25)48-41(57)26-10-16-29(17-11-26)53(64)65/h6-23,34,39,54-55H,1-5H3,(H2,47,56)(H,48,57)(H,49,61)(H,50,58)(H,51,60)(H,52,59)(H,62,63)/t34-,39+/m0/s1
InChIKey: QUGQHCSHBGAXCK-AWLITPKASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corallococcus coralloides | Corallococcus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 935.9
TPSA？: 345.1500000000001
MolLogP？: 7.090870000000007
Number of H-Donors: 10
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 0.125 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 0.03 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Escherichia coli | Escherichia coli | MIC | 0.125 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 2.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 4.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.015 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.125 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.25 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 0.25 | ug.mL-1 | 10.1021/acs.jnatprod.6b00294 |