5-[[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]methyl]-1,3-benzodioxole
| Internal ID | 0e891a8a-60ca-4752-a3cc-68c9e85fe253 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5-[[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-benzodioxole |
| SMILES (Canonical) | CC=CC1=CC2=C(C(=C1)OC)OC(C2C)CC3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | C/C=C/C1=CC2=C(C(=C1)OC)O[C@@H]([C@@H]2C)CC3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C21H22O4/c1-4-5-14-8-16-13(2)18(25-21(16)20(11-14)22-3)9-15-6-7-17-19(10-15)24-12-23-17/h4-8,10-11,13,18H,9,12H2,1-3H3/b5-4+/t13-,18-/m1/s1 |
| InChI Key | TVUKAZBHCZRCLV-VSYMPVBISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H22O4 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 5.10 |
| 124041-75-4 |
| 5-[[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]methyl]-1,3-benzodioxole |
![2D Structure of 5-[[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]methyl]-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/b9043360-8434-11ee-99a2-352404cf7953.jpg "2D Structure of 5-[[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]methyl]-1,3-benzodioxole")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.01% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.73% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.12% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.71% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.27% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.47% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.86% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.86% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.69% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.87% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.65% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.30% | 90.24% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 86.76% | 96.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.06% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.98% | 97.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.68% | 82.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.38% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.96% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.98% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.47% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.91% | 89.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.42% | 94.73% |
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.
| Nectandra hihua |
| PubChem | 14352608 |
| LOTUS | LTS0097169 |
| wikiData | Q105265559 |