Trienomycin D
| Internal ID | 167c016c-8cf9-416e-9515-e7f786726361 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | [(5R,6E,8E,10Z,13S,14R,15S,16E)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2S)-2-(cyclohexene-1-carbonylamino)propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H48N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,16,18,20-22,25-26,31-32,34,39,41H,8-10,13,15,17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7-,18-11+,24-14+/t25-,26-,31-,32-,34+/m0/s1 |
| InChI Key | OBMHDUHQCCKFEX-VPRJSADRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H48N2O7 |
| Molecular Weight | 620.80 g/mol |
| Exact Mass | 620.34615187 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.35% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.48% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.24% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.88% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.70% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.63% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.24% | 97.25% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.81% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.76% | 98.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.23% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.48% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.00% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.74% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.48% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.22% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.16% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.96% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.96% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.42% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.60% | 89.63% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.86% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.24% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.53% | 90.08% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.29% | 89.50% |
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 | 139588953 |
| LOTUS | LTS0134470 |
| wikiData | Q105189068 |