(2S,6S,8S,9R,12E,14E,16R,25R,26E)-16-ethyl-6,8,9-trihydroxy-12,25,27-trimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-triene-3,20,28-trione
| Internal ID | 82fc25f6-7dfb-4f42-938b-d058eabaf9bf |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (2S,6S,8S,9R,12E,14E,16R,25R,26E)-16-ethyl-6,8,9-trihydroxy-12,25,27-trimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14,26-triene-3,20,28-trione |
| SMILES (Canonical) | CCCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCCCC(C=C(C(=O)O1)C)C)CC)C)O)O)O |
| SMILES (Isomeric) | CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C/[C@@H](CCCC(=O)CCCC[C@H](/C=C(/C(=O)O1)\C)C)CC)/C)O)O)O |
| InChI | InChI=1S/C34H57NO7/c1-6-12-32-33(40)35-23-29(37)22-31(39)30(38)20-19-24(3)14-10-15-27(7-2)16-11-18-28(36)17-9-8-13-25(4)21-26(5)34(41)42-32/h10,14-15,21,25,27,29-32,37-39H,6-9,11-13,16-20,22-23H2,1-5H3,(H,35,40)/b15-10+,24-14+,26-21+/t25-,27+,29+,30-,31+,32+/m1/s1 |
| InChI Key | UDTXWYXSLGOPGK-AVLXOLRASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H57NO7 |
| Molecular Weight | 591.80 g/mol |
| Exact Mass | 591.41350316 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 5.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.66% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.19% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.39% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.41% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.95% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.92% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.58% | 96.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.92% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.70% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.73% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.64% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.05% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.50% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.79% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.63% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.39% | 97.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.09% | 95.93% |
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 | 162993780 |
| LOTUS | LTS0060780 |
| wikiData | Q105270521 |