2-ethenyl-10-hydroxy-8,8-dimethyl-2,5,6,7-tetrahydro-1H-phenanthrene-3,9-dione
| Internal ID | 8a1c629d-2464-4740-b11d-3a4a769a6b56 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | 2-ethenyl-10-hydroxy-8,8-dimethyl-2,5,6,7-tetrahydro-1H-phenanthrene-3,9-dione |
| SMILES (Canonical) | CC1(CCCC2=C1C(=O)C(=C3C2=CC(=O)C(C3)C=C)O)C |
| SMILES (Isomeric) | CC1(CCCC2=C1C(=O)C(=C3C2=CC(=O)C(C3)C=C)O)C |
| InChI | InChI=1S/C18H20O3/c1-4-10-8-13-12(9-14(10)19)11-6-5-7-18(2,3)15(11)17(21)16(13)20/h4,9-10,20H,1,5-8H2,2-3H3 |
| InChI Key | DNCRAHGGYRUQBA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.30 g/mol |
| Exact Mass | 284.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 2.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.57% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.14% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.68% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.56% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.70% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.36% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.48% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.05% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.54% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.26% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.05% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.92% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.72% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.21% | 85.30% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.19% | 99.43% |
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.
| Marrubium velutinum |
| Rosa canina |
| PubChem | 162814307 |
| LOTUS | LTS0240251 |
| wikiData | Q105000636 |