3-[(2S,3R)-2-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
| Internal ID | 33240a3b-8921-410f-b8b9-784976022533 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 3-[(2S,3R)-2-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
| SMILES (Canonical) | COC1=CC(=CC2=C1OC(C2CO)C3=CC4=C(C=C3)OCO4)CCCO |
| SMILES (Isomeric) | COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC4=C(C=C3)OCO4)CCCO |
| InChI | InChI=1S/C20H22O6/c1-23-18-8-12(3-2-6-21)7-14-15(10-22)19(26-20(14)18)13-4-5-16-17(9-13)25-11-24-16/h4-5,7-9,15,19,21-22H,2-3,6,10-11H2,1H3/t15-,19+/m0/s1 |
| InChI Key | DCZADIFTWXUYRT-HNAYVOBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3-[(2S,3R)-2-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c0a849e0-8527-11ee-9524-8557e49ce9af.jpg "2D Structure of 3-[(2S,3R)-2-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol")
| 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 | 98.87% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.94% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.56% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.05% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.75% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.42% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.06% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.10% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 90.91% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.19% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.68% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.48% | 95.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.79% | 96.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.15% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.77% | 82.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.47% | 97.14% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.44% | 96.09% |
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.
| Taiwania cryptomerioides |
| PubChem | 100935362 |
| LOTUS | LTS0007873 |
| wikiData | Q104976155 |