Neopolyoxin A
AlkaPlorer ID: AK021163
Synonym: None
IUPAC Name: (2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Structure
SMILES: C[C@@H]([C@H](N)C(O)=N[C@H](C(=O)O)[C@H]1O[C@@H](N2C=C(C=O)N=C2O)[C@H](O)[C@@H]1O)[C@H](O)C1=CC=C(O)C=N1
InChI: InChI=1S/C20H25N5O10/c1-7(13(28)10-3-2-9(27)4-22-10)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-8(6-26)23-20(25)34/h2-7,11-16,18,27-30H,21H2,1H3,(H,23,34)(H,24,31)(H,32,33)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1
InChIKey: AYXHZRVSIUJLAE-VHDFTHOZSA-N
Reference
Biosynthesis of 4-Formyl-4-imidazoIine-2-on, the Heterocyclic Base of Nikkomycin X
PubChem CID: 21115166
LOTUS: LTS0110059
{NPAtlas: NPA006550
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces tendae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 495.44500000000016
TPSA？: 254.07
MolLogP？: -1.772299999999998
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Hydrolysis | 0.0 | None | 10.1021/jm00105a026 |
| Candida albicans | Candida albicans | IC50 | 100.0 | ug.mL-1 | 10.1016/s0960-894x(00)00677-6 |
| Candida albicans | Candida albicans | MIC | 2.5 | ug.mL-1 | 10.1021/jm00105a026 |
| Candida albicans | Candida albicans | MIC | 5.0 | ug.mL-1 | 10.1021/jm00105a026 |
| Candida albicans | Candida albicans | MIC | 333.0 | ug.mL-1 | 10.1021/jm00105a026 |
| Candida albicans | Candida albicans | Transport inhibition | 30.0 | % | 10.1021/jm00105a026 |
| Candida albicans | Candida albicans | Transport inhibition | 90.0 | % | 10.1021/jm00105a026 |
| Candida albicans | Chitin synthase 1 | ID50 | 0.1 | ug ml-1 | 10.1021/jm00105a026 |