Eleutherazine B
AlkaPlorer ID: AK029450
Synonym: None
IUPAC Name: (E)-5-hydroxy-N-[3-[(2S,5S)-5-[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide
Structure
SMILES: C/C(=C\C(O)=NCCC[C@@H]1N=C(O)[C@H](CCCN=C(O)/C=C(\C)CCO)N=C1O)CCO
InChI: InChI=1S/C22H36N4O6/c1-15(7-11-27)13-19(29)23-9-3-5-17-21(31)26-18(22(32)25-17)6-4-10-24-20(30)14-16(2)8-12-28/h13-14,17-18,27-28H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,25,32)(H,26,31)/b15-13+,16-14+/t17-,18-/m0/s1
InChIKey: CNQCBOHTKBVCFM-URISWADMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria bassiana | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 452.5520000000003
TPSA？: 170.82
MolLogP？: 2.781000000000001
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00889 |
| Escherichia coli | Escherichia coli | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00889 |
| Homo sapiens | KB 3-1 | Activity | nan | None | 10.1021/acs.jnatprod.6b00889 |
| Homo sapiens | NCI-H460 | Activity | nan | None | 10.1021/acs.jnatprod.6b00889 |
| Homo sapiens | SW-620 | Activity | nan | None | 10.1021/acs.jnatprod.6b00889 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00889 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00889 |
| None | No relevant target | Activity | nan | None | 10.1021/acs.jnatprod.9b00698 |