4-(1-Hydroxy-3-oxopentyl)-2,4,17,19-tetramethyl-5,26-dioxa-11-azatricyclo[21.2.1.07,11]hexacosa-13,19-diene-6,12,18-trione
| Internal ID | 90863023-8c0f-4e0e-891d-735589a6964e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | 4-(1-hydroxy-3-oxopentyl)-2,4,17,19-tetramethyl-5,26-dioxa-11-azatricyclo[21.2.1.07,11]hexacosa-13,19-diene-6,12,18-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H49NO7/c1-6-24(34)19-28(35)32(5)20-23(4)27-17-16-25(39-27)13-9-12-22(3)30(37)21(2)11-7-8-15-29(36)33-18-10-14-26(33)31(38)40-32/h8,12,15,21,23,25-28,35H,6-7,9-11,13-14,16-20H2,1-5H3 |
| InChI Key | XJFJNAJTNHTVDF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H49NO7 |
| Molecular Weight | 559.70 g/mol |
| Exact Mass | 559.35090290 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 4-(1-Hydroxy-3-oxopentyl)-2,4,17,19-tetramethyl-5,26-dioxa-11-azatricyclo[21.2.1.07,11]hexacosa-13,19-diene-6,12,18-trione](https://plantaedb.com/storage/docs/compounds/2023/11/6624cca0-8461-11ee-a999-b9fcec7a2d74.jpg "2D Structure of 4-(1-Hydroxy-3-oxopentyl)-2,4,17,19-tetramethyl-5,26-dioxa-11-azatricyclo[21.2.1.07,11]hexacosa-13,19-diene-6,12,18-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.02% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.63% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.96% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.87% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.74% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.74% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.63% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.59% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.58% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.85% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.82% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.70% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.48% | 95.89% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.96% | 86.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.80% | 92.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.05% | 98.33% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.94% | 90.24% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.22% | 97.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.58% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.51% | 97.14% |
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 | 78096967 |
| LOTUS | LTS0136081 |
| wikiData | Q104201036 |