(1R,2R,4aR,5S,6R,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol
| Internal ID | 721dcffc-bad9-494d-8a1d-78073cdbcd9d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (1R,2R,4aR,5S,6R,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H36O3/c1-7-17(3,22)12-13-18(4)14(2)10-11-19(5)15(18)8-9-16(21)20(19,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15-,16-,17-,18+,19-,20+/m1/s1 |
| InChI Key | BBYQYMNXQRGCRE-PDKYLHCFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O3 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4aR,5S,6R,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/28dab250-85d5-11ee-942c-37a672d9a05a.jpg "2D Structure of (1R,2R,4aR,5S,6R,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.42% | 97.25% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 92.07% | 95.92% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.16% | 97.64% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.95% | 97.79% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.83% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.68% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.78% | 97.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.75% | 90.93% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.38% | 89.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.72% | 96.61% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.60% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.85% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.80% | 91.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.49% | 96.95% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.29% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.06% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.79% | 96.47% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.30% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.97% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.64% | 90.08% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.37% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.36% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.30% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.09% | 95.58% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.68% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.42% | 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.
| There are no matching plants. |
| PubChem | 162954426 |
| LOTUS | LTS0079311 |
| wikiData | Q104923142 |