4-[4-(3-Methoxy-8,13-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-9-yl)butyl]phenol
| Internal ID | 35ae4ee1-6fa0-401f-9dc3-746b182f2c3c |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 4-[4-(3-methoxy-8,13-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-9-yl)butyl]phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O4/c1-24-18-7-4-8-19-21(18)20-9-5-15-22(25-19,26-20)14-3-2-6-16-10-12-17(23)13-11-16/h4,7-8,10-13,20,23H,2-3,5-6,9,14-15H2,1H3 |
| InChI Key | GWVFYGORTDOZAZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 4-[4-(3-Methoxy-8,13-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-9-yl)butyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-3-methoxy-813-dioxatricyclo731027trideca-2735-trien-9-ylbutylphenol.jpg "2D Structure of 4-[4-(3-Methoxy-8,13-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-9-yl)butyl]phenol")
| 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 | 98.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.92% | 91.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.11% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.76% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.55% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.50% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.35% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.26% | 92.62% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.87% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 86.26% | 91.23% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.75% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.48% | 98.75% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 85.22% | 96.69% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.67% | 96.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.10% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.52% | 92.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.61% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.34% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.16% | 91.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.58% | 93.99% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.47% | 95.34% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.41% | 95.89% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.12% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163192413 |
| LOTUS | LTS0069839 |
| wikiData | Q105022808 |