[(1R,2S,4E,8E,10R)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] (Z)-2-methylbut-2-enoate
| Internal ID | 2c415a3a-b5c9-44bd-a1fd-1b822dcab216 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Bicyclogermacrane and isolepidozane sesquiterpenoids |
| IUPAC Name | [(1R,2S,4E,8E,10R)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C2(C)C)C)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@@H]2[C@@H]1C2(C)C)/C)/C |
| InChI | InChI=1S/C20H30O2/c1-7-15(4)19(21)22-17-12-14(3)10-8-9-13(2)11-16-18(17)20(16,5)6/h7,10-11,16-18H,8-9,12H2,1-6H3/b13-11+,14-10+,15-7-/t16-,17+,18+/m1/s1 |
| InChI Key | MLQMIURMODQIOF-GSXOEQPUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4E,8E,10R)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4e8e10r-481111-tetramethyl-2-bicyclo810undeca-48-dienyl-z-2-methylbut-2-enoate.jpg "2D Structure of [(1R,2S,4E,8E,10R)-4,8,11,11-tetramethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] (Z)-2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.95% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.30% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.22% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.21% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.03% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.62% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.29% | 92.94% |
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.
| Senecio crassissimus |
| Stylotrichium rotundifolium |
| PubChem | 163194085 |
| LOTUS | LTS0117016 |
| wikiData | Q105166949 |