Ansatrienin A
AlkaPlorer ID: AK025141
Synonym: 'Antibiotic T 23I', 'Mycotrienin I', 'Ansatrienin A', '(+)-Mycotrienin I', 'SDZ 115-961'
IUPAC Name: [(5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
Structure
SMILES: CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)N=C(O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCC2=CC(=O)C=C(N=C(O)C1)C2=O
InChI: InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1
InChIKey: WWUVMHRJRCRFSL-UOZMSBJPSA-N
Reference
Ansatrienin A2 and A3: Minor components of the ansamycin complex produced by Streptomyces collinus.
PubChem CID: 5282069
LOTUS: LTS0015521
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces collinus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 636.7860000000003
TPSA？: 155.08
MolLogP？: 5.943000000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus japonicus | Aspergillus japonicus | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| Cyberlindnera jadinii | Cyberlindnera jadinii | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| Mus musculus | L5178Y | MIC | 0.11 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| Mus musculus | L5178Y | MIC | 1250.0 | nM | 10.1016/j.ejmech.2022.114815 |
| Penicillium chrysogenum | Penicillium chrysogenum | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| Rhizomucor pusillus | Rhizomucor pusillus | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| Rhizopus delemar | Rhizopus delemar | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |
| None | ADMET | LD50 | 56.0 | mg.kg-1 | 10.1016/j.ejmech.2022.114815 |