1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol
| Internal ID | 172dfeca-aa09-4569-8fff-6684f5a42ff5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol |
| SMILES (Canonical) | CC1CCC2C(CCCC2(C1(CCC(C)(C=C)O)O)C)(C)C |
| SMILES (Isomeric) | CC1CCC2C(CCCC2(C1(CCC(C)(C=C)O)O)C)(C)C |
| InChI | InChI=1S/C20H36O2/c1-7-18(5,21)13-14-20(22)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,15-16,21-22H,1,8-14H2,2-6H3 |
| InChI Key | QNIUYBRZAVVKNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.10 |
| 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 | 99.38% | 97.25% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 94.22% | 97.64% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 93.83% | 95.92% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 92.65% | 90.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.92% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.94% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.82% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.04% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.19% | 97.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.97% | 100.00% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.96% | 94.01% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.85% | 93.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.67% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.88% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.84% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.25% | 98.95% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.03% | 99.29% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.83% | 91.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.77% | 90.08% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.66% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.54% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.44% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.17% | 98.99% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.02% | 93.99% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.58% | 96.95% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.09% | 99.43% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.85% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.61% | 86.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.42% | 95.50% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.31% | 92.97% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.19% | 99.18% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.18% | 97.33% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.03% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.01% | 95.17% |
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 agnus-castus |
| PubChem | 74390817 |
| LOTUS | LTS0075331 |
| wikiData | Q105224487 |