2-Ethenyl-2,8,8-trimethyl-1,3,4b,5,6,7,8a,9-octahydrophenanthrene-4,10-dione
| Internal ID | a1c294b1-b452-48df-9148-66b6d409b130 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | 2-ethenyl-2,8,8-trimethyl-1,3,4b,5,6,7,8a,9-octahydrophenanthrene-4,10-dione |
| SMILES (Canonical) | CC1(CCCC2C1CC(=O)C3=C2C(=O)CC(C3)(C)C=C)C |
| SMILES (Isomeric) | CC1(CCCC2C1CC(=O)C3=C2C(=O)CC(C3)(C)C=C)C |
| InChI | InChI=1S/C19H26O2/c1-5-19(4)10-13-15(20)9-14-12(17(13)16(21)11-19)7-6-8-18(14,2)3/h5,12,14H,1,6-11H2,2-4H3 |
| InChI Key | ROILZWNNICNKNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O2 |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 4.10 |
| 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 | 94.07% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.80% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.60% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.97% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.94% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.50% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.91% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.66% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.97% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.83% | 93.04% |
| CHEMBL240 | Q12809 | HERG | 86.41% | 89.76% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.11% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.78% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.73% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.61% | 95.89% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.39% | 86.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.92% | 94.78% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.03% | 97.50% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.41% | 98.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.40% | 96.43% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.14% | 91.24% |
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.
| Grindelia hirsutula |
| Plagiocheilus bogotensis |
| Vellozia pusilla |
| PubChem | 14191480 |
| LOTUS | LTS0263674 |
| wikiData | Q105275477 |