Octadecyl 2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-(3-octadecoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate
| Internal ID | 45da7b2b-5714-4532-8e99-19d40ff4543c |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | octadecyl 2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-(3-octadecoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H90O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-62-52(58)38-37-46-41-50-53(54(64-55(50)51(42-46)61-4)47-43-48(57)45-49(44-47)60-3)56(59)63-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-38,41-45,53-54,57H,5-36,39-40H2,1-4H3 |
| InChI Key | ZDNOXIFLPQLCOX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H90O8 |
| Molecular Weight | 891.30 g/mol |
| Exact Mass | 890.66356982 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 20.60 |
| 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 | 98.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.49% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.20% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.71% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.00% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.40% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.16% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.15% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.65% | 92.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.58% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.52% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.49% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.00% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.08% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.73% | 97.14% |
| CHEMBL3194 | P02766 | Transthyretin | 84.45% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.65% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.29% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.79% | 99.23% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.38% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.84% | 91.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.18% | 96.95% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.17% | 80.78% |
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.
| Bruguiera gymnorhiza |
| PubChem | 162891325 |
| LOTUS | LTS0125944 |
| wikiData | Q105372463 |