4-(3-Hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-2,3,6,7-tetrahydronaphthalen-2-ol
| Internal ID | d0501915-fac3-49ad-9d8c-2c49f5da261d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-2,3,6,7-tetrahydronaphthalen-2-ol |
| SMILES (Canonical) | CC1C(C=C2C(=CCCC2(C)C)C1(C)CCC(C)(C=C)O)O |
| SMILES (Isomeric) | CC1C(C=C2C(=CCCC2(C)C)C1(C)CCC(C)(C=C)O)O |
| InChI | InChI=1S/C20H32O2/c1-7-19(5,22)11-12-20(6)14(2)17(21)13-16-15(20)9-8-10-18(16,3)4/h7,9,13-14,17,21-22H,1,8,10-12H2,2-6H3 |
| InChI Key | CYPPFALFRDZTNG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.87% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.66% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.52% | 90.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.71% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.06% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.76% | 95.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.35% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.70% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.63% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.67% | 91.07% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.62% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.12% | 95.89% |
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.
| Vitex trifolia |
| PubChem | 85304779 |
| LOTUS | LTS0100456 |
| wikiData | Q104972466 |