[14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 2-methylbut-2-enoate
| Internal ID | cd371cbb-95b0-46c4-bf15-6d120af2c968 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H40O4/c1-6-16(2)21(27)29-20-10-11-23(5)18(22(20,3)4)9-12-24-13-17(7-8-19(23)24)25(28,14-24)15-26/h6,17-20,26,28H,7-15H2,1-5H3 |
| InChI Key | UFAMYDZEYXDPRV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.60 g/mol |
| Exact Mass | 404.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of [14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7f40bbf0-8437-11ee-a6b0-dd4dbdaadbfc.jpg "2D Structure of [14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.89% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.51% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.33% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.50% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.15% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.95% | 94.45% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.62% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.04% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.24% | 91.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.24% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.76% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.07% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.05% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.00% | 99.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.69% | 92.98% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.14% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.57% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.45% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.96% | 91.07% |
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.
| Robinsonia evenia |
| PubChem | 163051136 |
| LOTUS | LTS0130980 |
| wikiData | Q105271260 |