(1R,2R,4R,8S,12R)-1-methyl-2-[(2S)-6-methylhept-5-en-2-yl]-5-oxatricyclo[6.3.1.04,12]dodecane-6,9-dione
| Internal ID | 6e695dad-0d2e-441a-b6a5-58c51c8c0faf |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1R,2R,4R,8S,12R)-1-methyl-2-[(2S)-6-methylhept-5-en-2-yl]-5-oxatricyclo[6.3.1.04,12]dodecane-6,9-dione |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CC2C3C1(CCC(=O)C3CC(=O)O2)C |
| SMILES (Isomeric) | C[C@@H](CCC=C(C)C)[C@H]1C[C@@H]2[C@H]3[C@@]1(CCC(=O)[C@H]3CC(=O)O2)C |
| InChI | InChI=1S/C20H30O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-15,17,19H,5,7-11H2,1-4H3/t13-,14+,15+,17+,19-,20+/m0/s1 |
| InChI Key | LILRNUJDHJYEPR-ARUNDJTASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4R,8S,12R)-1-methyl-2-[(2S)-6-methylhept-5-en-2-yl]-5-oxatricyclo[6.3.1.04,12]dodecane-6,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/70412460-8622-11ee-9e35-75d1d3a9ccce.jpg "2D Structure of (1R,2R,4R,8S,12R)-1-methyl-2-[(2S)-6-methylhept-5-en-2-yl]-5-oxatricyclo[6.3.1.04,12]dodecane-6,9-dione")
| 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 | 96.95% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.00% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.87% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.51% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.54% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.01% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.47% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.27% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.23% | 95.58% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.72% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.61% | 93.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.13% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.32% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.11% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.98% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.87% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.85% | 89.50% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.72% | 95.92% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.09% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.40% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.19% | 86.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.63% | 98.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.06% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.91% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.88% | 91.19% |
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 | 163061229 |
| LOTUS | LTS0070945 |
| wikiData | Q105152267 |