(2-Ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-4-yl) 3-methylbut-2-enoate
| Internal ID | 2c9501c2-bb59-4e17-9089-fa5142fe5a90 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-4-yl) 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CC(=O)OC1CC(CC2(C1C3(CCCC(C3CC2)(C)C)C)O)(C)C=C)C |
| SMILES (Isomeric) | CC(=CC(=O)OC1CC(CC2(C1C3(CCCC(C3CC2)(C)C)C)O)(C)C=C)C |
| InChI | InChI=1S/C25H40O3/c1-8-23(6)15-18(28-20(26)14-17(2)3)21-24(7)12-9-11-22(4,5)19(24)10-13-25(21,27)16-23/h8,14,18-19,21,27H,1,9-13,15-16H2,2-7H3 |
| InChI Key | NZIRCUCUDKIHHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O3 |
| Molecular Weight | 388.60 g/mol |
| Exact Mass | 388.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
| 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 | 95.02% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.63% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.23% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.66% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.10% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.96% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.16% | 96.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.05% | 83.82% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.00% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.84% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.53% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.84% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.71% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 81.52% | 97.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.97% | 94.66% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.40% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.15% | 97.09% |
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 subrubriflorus |
| PubChem | 162926746 |
| LOTUS | LTS0157886 |
| wikiData | Q105188080 |