(1Z,3E,18Z)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone
| Internal ID | 8419c9ef-c665-4699-a54d-b34af345ef56 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (1Z,3E,18Z)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone |
| SMILES (Canonical) | CCC1CC2CC3C4CC=CC(=O)NCCC(C5C(=O)C(=C(C=CC4CC(=O)C3C2C1C)O)C(=O)N5)O |
| SMILES (Isomeric) | CCC1CC2CC3C4C/C=C\C(=O)NCCC(C5C(=O)/C(=C(\C=C\C4CC(=O)C3C2C1C)/O)/C(=O)N5)O |
| InChI | InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,32-33H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20- |
| InChI Key | GXFBXYRIFPTSTH-MUTYJWFISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38N2O6 |
| Molecular Weight | 510.60 g/mol |
| Exact Mass | 510.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (1Z,3E,18Z)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/933c1b30-852a-11ee-bc4f-6b308ea3dddc.jpg "2D Structure of (1Z,3E,18Z)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone")
| 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 | 97.96% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.31% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.17% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.63% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.83% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.60% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.05% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.50% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.66% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.51% | 85.14% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.41% | 95.92% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.29% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.86% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.19% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.04% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.24% | 98.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.68% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.27% | 97.05% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.06% | 85.31% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.38% | 98.59% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.67% | 97.63% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.46% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 54691813 |
| LOTUS | LTS0055896 |
| wikiData | Q105023030 |