4-[7-Hydroxy-3-(hydroxymethyl)-2-(2-hydroxypropan-2-yloxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol
| Internal ID | 776888d4-6d29-4040-aa7b-e13a3831d8ad |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 4-[7-hydroxy-3-(hydroxymethyl)-2-(2-hydroxypropan-2-yloxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol |
| SMILES (Canonical) | CC(C)(O)OCC1C(CC2=CC(=C(C=C2C1C3=CC(=C(C=C3)O)O)O)OC)CO |
| SMILES (Isomeric) | CC(C)(O)OCC1C(CC2=CC(=C(C=C2C1C3=CC(=C(C=C3)O)O)O)OC)CO |
| InChI | InChI=1S/C22H28O7/c1-22(2,27)29-11-16-14(10-23)6-13-8-20(28-3)19(26)9-15(13)21(16)12-4-5-17(24)18(25)7-12/h4-5,7-9,14,16,21,23-27H,6,10-11H2,1-3H3 |
| InChI Key | WNLZLIWFZQJOJW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O7 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 4-[7-Hydroxy-3-(hydroxymethyl)-2-(2-hydroxypropan-2-yloxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1c4c96d0-8648-11ee-b142-ff99c616515f.jpg "2D Structure of 4-[7-Hydroxy-3-(hydroxymethyl)-2-(2-hydroxypropan-2-yloxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol")
| 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 | 99.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.56% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.08% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.75% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.42% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.42% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.75% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.49% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.94% | 99.17% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.68% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.46% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.79% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.43% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.20% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.05% | 91.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.96% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.35% | 100.00% |
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.
| Taxus baccata |
| PubChem | 75216230 |
| LOTUS | LTS0121690 |
| wikiData | Q105309147 |