Pithomycolide
| Internal ID | 0c671c8f-af7b-43d5-902d-99f228278852 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3,6,7-trimethyl-13,17-diphenyl-9-propan-2-yl-1,10,14-trioxa-4,7-diazacycloheptadecane-2,5,8,11,15-pentone |
| SMILES (Canonical) | CC1C(=O)OC(CC(=O)OC(CC(=O)OC(C(=O)N(C(C(=O)N1)C)C)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 |
| SMILES (Isomeric) | CC1C(=O)OC(CC(=O)OC(CC(=O)OC(C(=O)N(C(C(=O)N1)C)C)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChI | InChI=1S/C30H36N2O8/c1-18(2)27-29(36)32(5)20(4)28(35)31-19(3)30(37)39-24(22-14-10-7-11-15-22)17-25(33)38-23(16-26(34)40-27)21-12-8-6-9-13-21/h6-15,18-20,23-24,27H,16-17H2,1-5H3,(H,31,35) |
| InChI Key | PRZLSSSUPGEMFV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36N2O8 |
| Molecular Weight | 552.60 g/mol |
| Exact Mass | 552.24716611 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 3.70 |
| 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 | 98.56% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.35% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.39% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.94% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.16% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.38% | 99.23% |
| CHEMBL1949 | P62937 | Cyclophilin A | 87.59% | 98.57% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 84.85% | 89.92% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.26% | 90.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.14% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.77% | 86.33% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 82.15% | 96.31% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.75% | 93.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.37% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.66% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.21% | 94.73% |
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 | 85298246 |
| LOTUS | LTS0211774 |
| wikiData | Q75068358 |