(10Z,17Z,19R,26R)-9-ethyl-4,12,26-trihydroxy-3,13,17-trimethyl-14-oxa-21-azatetracyclo[17.6.1.05,25.022,26]hexacosa-1(25),2,4,10,17,22-hexaene-6,15,16,20,24-pentone
| Internal ID | 2ab63f4e-500b-4814-90f8-d60b18f74879 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (10Z,17Z,19R,26R)-9-ethyl-4,12,26-trihydroxy-3,13,17-trimethyl-14-oxa-21-azatetracyclo[17.6.1.05,25.022,26]hexacosa-1(25),2,4,10,17,22-hexaene-6,15,16,20,24-pentone |
| SMILES (Canonical) | CCC1CCC(=O)C2=C(C(=CC3=C2C(=O)C=C4C3(C(C=C(C(=O)C(=O)OC(C(C=C1)O)C)C)C(=O)N4)O)C)O |
| SMILES (Isomeric) | CCC/1CCC(=O)C2=C(C(=CC3=C2C(=O)C=C4[C@]3([C@@H](/C=C(\C(=O)C(=O)OC(C(/C=C1)O)C)/C)C(=O)N4)O)C)O |
| InChI | InChI=1S/C29H31NO9/c1-5-16-6-8-19(31)15(4)39-28(37)26(35)14(3)11-18-27(36)30-22-12-21(33)23-17(29(18,22)38)10-13(2)25(34)24(23)20(32)9-7-16/h6,8,10-12,15-16,18-19,31,34,38H,5,7,9H2,1-4H3,(H,30,36)/b8-6-,14-11-/t15?,16?,18-,19?,29-/m0/s1 |
| InChI Key | RRRUMCQRCQFTRJ-AKCRNFOGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H31NO9 |
| Molecular Weight | 537.60 g/mol |
| Exact Mass | 537.19988157 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (10Z,17Z,19R,26R)-9-ethyl-4,12,26-trihydroxy-3,13,17-trimethyl-14-oxa-21-azatetracyclo[17.6.1.05,25.022,26]hexacosa-1(25),2,4,10,17,22-hexaene-6,15,16,20,24-pentone](https://plantaedb.com/storage/docs/compounds/2023/11/7c1f01b0-84d2-11ee-92c9-79eb1da0acb5.jpg "2D Structure of (10Z,17Z,19R,26R)-9-ethyl-4,12,26-trihydroxy-3,13,17-trimethyl-14-oxa-21-azatetracyclo[17.6.1.05,25.022,26]hexacosa-1(25),2,4,10,17,22-hexaene-6,15,16,20,24-pentone")
| 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 | 98.90% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.63% | 95.56% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 91.70% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.38% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.37% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.03% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.59% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.89% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.21% | 86.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.08% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.78% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.63% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.21% | 90.71% |
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.
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| There are no matching plants. |
| PubChem | 102131184 |
| LOTUS | LTS0143808 |
| wikiData | Q105244320 |