N-[11-[4-[2-(4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl)propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide
| Internal ID | 97c2bb76-ed8f-4dff-bf69-a2ca3d626091 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | N-[11-[4-[2-(4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl)propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H44N2O7/c1-22-16-17-27-29(30(22)38)34(40)43-32(31(27)39)24(3)19-26-21-42-33(35-26)23(2)15-13-11-9-7-8-10-12-14-18-36(5)28(37)20-25(4)41-6/h7,9,11-14,16-17,20-21,23-24,31-32,38-39H,8,10,15,18-19H2,1-6H3 |
| InChI Key | YIAOKSMOIJEDIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H44N2O7 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.31485175 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of N-[11-[4-[2-(4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl)propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/3b770530-8641-11ee-855b-cf780014d77d.jpg "2D Structure of N-[11-[4-[2-(4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl)propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide")
| 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 | 98.60% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.94% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.66% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.77% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.56% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.51% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.86% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.83% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.35% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.05% | 91.19% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.70% | 93.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.16% | 93.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.22% | 96.90% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.07% | 93.65% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.75% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.57% | 96.09% |
| CHEMBL5028 | O14672 | ADAM10 | 81.25% | 97.50% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.03% | 96.39% |
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 | 78100396 |
| LOTUS | LTS0094728 |
| wikiData | Q104201728 |