Tetroazolemycin B
| Internal ID | 9aec9706-7a69-47e7-973b-86cf63933212 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (1S,6S)-9-[[(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl]-7-[[(2R,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]methyl]-3,4-dithia-7,9-diazabicyclo[4.2.2]decane-8,10-dione |
| SMILES (Canonical) | CN1C(CSC1C2COC(=N2)C3=CC=CC=C3O)CN4C5CSSCC(C4=O)N(C5=O)CC6CSC(N6C)C7COC(=N7)C8=CC=CC=C8O |
| SMILES (Isomeric) | CN1[C@H](CS[C@@H]1[C@@H]2COC(=N2)C3=CC=CC=C3O)CN4[C@@H]5CSSC[C@H](C4=O)N(C5=O)C[C@H]6CS[C@H](N6C)[C@@H]7COC(=N7)C8=CC=CC=C8O |
| InChI | InChI=1S/C34H40N6O6S4/c1-37-19(15-47-33(37)23-13-45-29(35-23)21-7-3-5-9-27(21)41)11-39-25-17-49-50-18-26(31(39)43)40(32(25)44)12-20-16-48-34(38(20)2)24-14-46-30(36-24)22-8-4-6-10-28(22)42/h3-10,19-20,23-26,33-34,41-42H,11-18H2,1-2H3/t19-,20-,23-,24-,25+,26+,33-,34+/m0/s1 |
| InChI Key | PLNJNPILMFLHRV-NDEUFGCJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H40N6O6S4 |
| Molecular Weight | 757.00 g/mol |
| Exact Mass | 756.18921771 g/mol |
| Topological Polar Surface Area (TPSA) | 232.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.16% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.70% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.23% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.51% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.50% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.31% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.33% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.21% | 82.69% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.81% | 91.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.15% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.81% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.14% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139583989 |
| LOTUS | LTS0096606 |
| wikiData | Q75070253 |