Awajanomycin
AlkaPlorer ID: AK036651
Synonym: '(+)-Awajanomycin', 'Awajanomycin'
IUPAC Name: (1S,4R,5S,8R)-1-hydroxy-8-[(E)-3-hydroxydec-1-enyl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione
Structure
SMILES: CCCCCCCC(O)/C=C/[C@@H]1[C@@H]2OC(=O)[C@@]1(O)C(O)=N[C@@H]2C
InChI: InChI=1S/C17H27NO5/c1-3-4-5-6-7-8-12(19)9-10-13-14-11(2)18-15(20)17(13,22)16(21)23-14/h9-14,19,22H,3-8H2,1-2H3,(H,18,20)/b10-9+/t11-,12?,13-,14-,17+/m1/s1
InChIKey: XDVNOKOPZHBIMT-MCBMSAGXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 325.4050000000001
TPSA？: 99.35
MolLogP？: 1.8953
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alphaproteobacteria | Alphaproteobacteria | Activity | nan | None | 10.1021/np060170a |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np060170a |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np060170a |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np060170a |
| Homo sapiens | A549 | IC50 | 27.5 | ug.mL-1 | 10.1021/np060170a |
| Leeuwenhoekiella marinoflava | Leeuwenhoekiella marinoflava | Activity | nan | None | 10.1021/np060170a |
| Salinivibrio costicola | Salinivibrio costicola | Activity | nan | None | 10.1021/np060170a |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np060170a |