5-(4-Hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
| Internal ID | a6e222a5-898f-46c6-90fd-27f61f7bd9e1 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol |
| SMILES (Canonical) | CC1CC2=CC(=C(C=C2C(C1C)C3=CC=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC1CC2=CC(=C(C=C2C(C1C)C3=CC=C(C=C3)O)O)O |
| InChI | InChI=1S/C18H20O3/c1-10-7-13-8-16(20)17(21)9-15(13)18(11(10)2)12-3-5-14(19)6-4-12/h3-6,8-11,18-21H,7H2,1-2H3 |
| InChI Key | KVQNZHBGJXIMPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.30 g/mol |
| Exact Mass | 284.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
| 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 | 97.75% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.87% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.64% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.20% | 98.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.61% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.10% | 85.14% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.42% | 98.35% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.41% | 95.62% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.87% | 97.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.30% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.27% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.12% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.06% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.08% | 89.62% |
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.
| Larrea tridentata |
| PubChem | 13887361 |
| LOTUS | LTS0071448 |
| wikiData | Q105146661 |