None
AlkaPlorer ID: AK323697
Synonym: None
IUPAC Name: (5R)-3-(6-azidohexanoyl)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2-one
Structure
SMILES: C=C/C(C)=C/[C@@]1(C)SC(=O)C(C(=O)CCCCCN=[N+]=[N-])=C1O
InChI: InChI=1S/C16H21N3O3S/c1-4-11(2)10-16(3)14(21)13(15(22)23-16)12(20)8-6-5-7-9-18-19-17/h4,10,21H,1,5-9H2,2-3H3/b11-10+/t16-/m1/s1
InChIKey: ISYQDIQOASFRNY-SIFUEBAJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 335.429
TPSA？: 103.13
MolLogP？: 4.402700000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Francisella tularensis | Francisella tularensis | MIC90 | nan | None | 10.1021/acs.jmedchem.6b00236 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | nan | None | 10.1021/acs.jmedchem.6b00236 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 16.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Yersinia pestis | Yersinia pestis | MIC90 | nan | None | 10.1021/acs.jmedchem.6b00236 |