6-bromo-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 | 37ced66b-b306-4278-8365-66309f9aae02 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6-bromo-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) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H35BrO2/c1-7-18(5,22)12-13-20(23)14(2)8-9-15-17(3,4)16(21)10-11-19(15,20)6/h7,14-16,22-23H,1,8-13H2,2-6H3 |
| InChI Key | RZGHGVYSEQLDBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H35BrO2 |
| Molecular Weight | 387.40 g/mol |
| Exact Mass | 386.18204 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.42% | 97.25% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 92.65% | 90.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.58% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.43% | 93.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.09% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.65% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 86.89% | 97.64% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.76% | 96.61% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.38% | 95.92% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.26% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.04% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.03% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.42% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.05% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.09% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.47% | 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.
| There are no matching plants. |
| PubChem | 15628114 |
| LOTUS | LTS0081962 |
| wikiData | Q105248369 |