(2S,6S,8S,9R,12Z,14E,16R,25S)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25-methyl-2-propyl-1-oxa-4-azacyclohexacosa-12,14-diene-3,20,26-trione
| Internal ID | a17ea38b-29dd-4806-afac-bf4b77b9c7d6 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | (2S,6S,8S,9R,12Z,14E,16R,25S)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25-methyl-2-propyl-1-oxa-4-azacyclohexacosa-12,14-diene-3,20,26-trione |
| SMILES (Canonical) | CCCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCCCC(C(=O)O1)C)CC)COC)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(=O)O1)C)CC)/COC)O)O)O |
| InChI | InChI=1S/C32H55NO8/c1-5-11-30-31(38)33-21-27(35)20-29(37)28(36)19-18-25(22-40-4)15-9-13-24(6-2)14-10-17-26(34)16-8-7-12-23(3)32(39)41-30/h9,13,15,23-24,27-30,35-37H,5-8,10-12,14,16-22H2,1-4H3,(H,33,38)/b13-9+,25-15-/t23-,24-,27-,28+,29-,30-/m0/s1 |
| InChI Key | FIXAZOJLSHJATL-WISQXMAGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H55NO8 |
| Molecular Weight | 581.80 g/mol |
| Exact Mass | 581.39276771 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.13% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.90% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.00% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.52% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.42% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.04% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.73% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.81% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.75% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.47% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.36% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.95% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.49% | 96.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.67% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.37% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.28% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.85% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.66% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.46% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.13% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.00% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.83% | 97.05% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.60% | 95.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.21% | 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 | 101424070 |
| LOTUS | LTS0227227 |
| wikiData | Q104995915 |