3-undecyl-3,4-dihydro-1H-isochromene-6,8-diol
| Internal ID | ca8ffc2b-f96a-4cef-8512-c63a1734c7a3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 3-undecyl-3,4-dihydro-1H-isochromene-6,8-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-18-13-16-12-17(21)14-20(22)19(16)15-23-18/h12,14,18,21-22H,2-11,13,15H2,1H3 |
| InChI Key | TZPFWDHZUWQCLM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.90% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.93% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.81% | 96.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.12% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.88% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.09% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.23% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.43% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.29% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.93% | 95.62% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.40% | 80.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.35% | 92.08% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.82% | 98.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.84% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.32% | 97.09% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.73% | 91.76% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.03% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.01% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.34% | 96.95% |
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.
| Ononis natrix |
| PubChem | 162915367 |
| LOTUS | LTS0125153 |
| wikiData | Q105268309 |