Pseudopteroxazole
AlkaPlorer ID: AK022725
Synonym: None
IUPAC Name: (1S,3aR,4S,6S)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole
Structure
SMILES: CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)C3=C2C1=C(C)C1=C3OC=N1
InChI: InChI=1S/C21H27NO/c1-11(2)8-15-9-13(4)16-7-6-12(3)17-19(16)18(15)14(5)20-21(17)23-10-22-20/h8,10,12-13,15-16H,6-7,9H2,1-5H3/t12-,13-,15+,16+/m0/s1
InChIKey: HTRVXIUUWGLCAT-WMHQRMGPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 309.453
TPSA？: 26.03
MolLogP？: 6.206720000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np2006555 |
| Enterococcus faecium | Enterococcus faecium | IC50 | 13.0 | ug.mL-1 | 10.1021/np2006555 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | 97.0 | % | 10.1021/np000196g |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Inhibition | 97.0 | % | 10.1016/j.ejmech.2019.01.026 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Inhibition | 97.0 | % | 10.1021/np030052c |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 12.5 | ug.mL-1 | 10.1021/np030052c |
| Mycolicibacterium diernhoferi | Mycolicibacterium diernhoferi | MIC | 4.0 | ug.mL-1 | 10.1021/np2006555 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 2.0 | ug.mL-1 | 10.1021/np2006555 |
| Proteus vulgaris | Proteus vulgaris | Activity | nan | None | 10.1021/np2006555 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np2006555 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 128.0 | ug.mL-1 | 10.1021/np2006555 |