Chinikomycin B
AlkaPlorer ID: AK030414
Synonym: None
IUPAC Name: (2E,4E,6R)-N-[3-chloro-4-[(1E,3E,5E)-7-[(2,5-dioxocyclopentylidene)amino]-7-oxohepta-1,3,5-trienyl]-2,5-dihydroxyphenyl]-2,4,6-trimethyldeca-2,4-dienamide
Structure
SMILES: CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=CC(=O)C(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)=C(Cl)C1=O
InChI: InChI=1S/C31H35ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,35H,5-6,11,14-15H2,1-4H3,(H,33,40)(H,34,38)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m1/s1
InChIKey: CRKWSNXPXJXAAZ-RWZZEPMSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 567.0820000000003
TPSA？: 129.64
MolLogP？: 5.267400000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np030518r |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np030518r |
| Chlorella sorokiniana | Chlorella sorokiniana | Activity | nan | None | 10.1021/np030518r |
| Chlorella vulgaris | Chlorella vulgaris | Activity | nan | None | 10.1021/np030518r |
| Desmodesmus subspicatus | Desmodesmus subspicatus | Activity | nan | None | 10.1021/np030518r |
| Encephalomyocarditis virus | Encephalomyocarditis virus | Activity | nan | None | 10.1021/np030518r |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np030518r |
| Rhizomucor miehei | Rhizomucor miehei | Activity | nan | None | 10.1021/np030518r |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np030518r |
| Streptomyces viridochromogenes | Streptomyces viridochromogenes | Activity | nan | None | 10.1021/np030518r |
| None | NON-PROTEIN TARGET | IC50 | 3.04 | ug.mL-1 | 10.1021/np030518r |
| None | NON-PROTEIN TARGET | IC50 | 6.0 | ug.mL-1 | 10.1021/np030518r |