myxothiazol
AlkaPlorer ID: AK037969
Synonym: 'Myxothiazol A', 'Myxothiazole A', '17(Z)-myxothiazole A', '(+)-myxothiazol', 'Myxothiazol'
IUPAC Name: (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienamide
Structure
SMILES: CO/C(=C/C(=N)O)[C@H](C)[C@H](/C=C/C1=CSC(C2=CSC([C@@H](C)/C=C/C=C/C(C)C)=N2)=N1)OC
InChI: InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
InChIKey: XKTFQMCPGMTBMD-FYHMSGCOSA-N
Reference
Bithiazole Metabolites from the Myxobacterium Myxococcus fulvus
PubChem CID: 10972974
LOTUS: LTS0013527
SuperNatural Ⅲ: SN0432860-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Myxococcus fulvus | Myxococcus | Myxococcaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 487.6910000000002
TPSA？: 88.32000000000001
MolLogP？: 6.868370000000007
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) | Cytochrome b | Inhibition | nan | % | 10.1021/ml300173e |
| Homo sapiens | A549 | IC50 | 1e-05 | ug.mL-1 | 10.1021/np9804233 |
| Homo sapiens | HCT-15 | IC50 | 3e-05 | ug.mL-1 | 10.1021/np9804233 |
| Homo sapiens | SK-MEL-2 | IC50 | 0.0097 | ug.mL-1 | 10.1021/np9804233 |
| Homo sapiens | SK-OV-3 | IC50 | 1e-05 | ug.mL-1 | 10.1021/np9804233 |
| Homo sapiens | XF498 | IC50 | 3e-05 | ug.mL-1 | 10.1021/np9804233 |
| Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | Cytochrome b | Inhibition | nan | % | 10.1021/ml300173e |