(2S)-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-9-ol
| Internal ID | 87114dd3-1fa5-46aa-a771-7018ef8d3625 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (2S)-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-9-ol |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=CC3=C2CCC4=C3C(=CC(=C4)OC)O)O |
| SMILES (Isomeric) | CC(C)([C@@H]1CC2=C(O1)C=CC3=C2CCC4=C3C(=CC(=C4)OC)O)O |
| InChI | InChI=1S/C20H22O4/c1-20(2,22)18-10-15-13-5-4-11-8-12(23-3)9-16(21)19(11)14(13)6-7-17(15)24-18/h6-9,18,21-22H,4-5,10H2,1-3H3/t18-/m0/s1 |
| InChI Key | RJZSPFLLKPIMGP-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (2S)-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-2-hydroxypropan-2-yl-7-methoxy-2345-tetrahydronaphtho21-e1benzofuran-9-ol.jpg "2D Structure of (2S)-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.42% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.13% | 91.49% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.41% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.01% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.70% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.66% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.72% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.65% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.20% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.91% | 92.68% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.85% | 93.40% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.77% | 82.67% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 88.54% | 97.90% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.38% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.30% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.21% | 95.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.82% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.79% | 99.15% |
| CHEMBL1293289 | P25440 | Bromodomain-containing protein 2 | 86.30% | 86.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.49% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.53% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.96% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.87% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.00% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.25% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 80.22% | 89.76% |
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.
| Spiranthes sinensis |
| PubChem | 162995789 |
| LOTUS | LTS0076006 |
| wikiData | Q105238254 |