Methyl 5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
| Internal ID | b224c516-9a22-44d1-97f6-1ff56f7f4eb5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | methyl 5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| SMILES (Canonical) | CC(=CC(=O)OC1CCC2(C3CCC4CC3(CCC2C1(C)C(=O)OC)CC4=C)C)C |
| SMILES (Isomeric) | CC(=CC(=O)OC1CCC2(C3CCC4CC3(CCC2C1(C)C(=O)OC)CC4=C)C)C |
| InChI | InChI=1S/C26H38O4/c1-16(2)13-22(27)30-21-10-11-24(4)19(25(21,5)23(28)29-6)9-12-26-14-17(3)18(15-26)7-8-20(24)26/h13,18-21H,3,7-12,14-15H2,1-2,4-6H3 |
| InChI Key | ZYSFUPUEWMTDAO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O4 |
| Molecular Weight | 414.60 g/mol |
| Exact Mass | 414.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of Methyl 5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/42300a40-85bc-11ee-b4a3-376fb58ba69d.jpg "2D Structure of Methyl 5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate")
| 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 | 96.56% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.44% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.80% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.19% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.70% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.15% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.59% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.41% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 85.04% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.49% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.24% | 83.82% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.96% | 96.77% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.68% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.54% | 85.30% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.25% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.18% | 91.03% |
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.
| Smallanthus uvedalia |
| Sphagneticola trilobata |
| PubChem | 162864612 |
| LOTUS | LTS0053819 |
| wikiData | Q105386378 |