None
AlkaPlorer ID: AK323413
Synonym: None
IUPAC Name: 3-[(1R,2R)-1,2-dihydroxy-4-oxocyclohexyl]-5-[(2R,5S,6S)-6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methyl-2,3-dihydropyridin-6-one
Structure
SMILES: CCC(C)CC(C)/C=C(\C)[C@H]1O[C@@H](C2=C(O)C([C@]3(O)CCC(=O)C[C@H]3O)CN(C)C2=O)CC[C@@H]1C
InChI: InChI=1S/C28H45NO6/c1-7-16(2)12-17(3)13-19(5)26-18(4)8-9-22(35-26)24-25(32)21(15-29(6)27(24)33)28(34)11-10-20(30)14-23(28)31/h13,16-18,21-23,26,31-32,34H,7-12,14-15H2,1-6H3/b19-13+/t16?,17?,18-,21?,22+,23+,26-,28+/m0/s1
InChIKey: ZAOBGQIVGLMBGW-ZOTYWSTISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium oxysporum | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 491.6690000000004
TPSA？: 107.29999999999998
MolLogP？: 3.934000000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria alternata | Alternaria alternata | MIC | 50.0 | ug.mL-1 | 10.1021/np9605596 |
| Aspergillus niger | Aspergillus niger | MIC | 10.0 | ug.mL-1 | 10.1021/np9605596 |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np9605596 |
| Botrytis cinerea | Botrytis cinerea | MIC | 1.0 | ug.mL-1 | 10.1021/np9605596 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np9605596 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np9605596 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np9605596 |
| Venturia inaequalis | Venturia inaequalis | MIC | 10.0 | ug.mL-1 | 10.1021/np9605596 |