(4bR,7R,8aS,10aS)-10a-ethenyl-7-hydroxy-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-one
| Internal ID | dd18eb0c-6302-4e6f-a94e-85187a12a873 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | (4bR,7R,8aS,10aS)-10a-ethenyl-7-hydroxy-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-one |
| SMILES (Canonical) | CC1=CC2(CCC3C(C(CCC3(C2=CC1=O)C)O)(C)C)C=C |
| SMILES (Isomeric) | CC1=C[C@]2(CC[C@H]3[C@](C2=CC1=O)(CC[C@H](C3(C)C)O)C)C=C |
| InChI | InChI=1S/C20H28O2/c1-6-20-10-7-15-18(3,4)17(22)8-9-19(15,5)16(20)11-14(21)13(2)12-20/h6,11-12,15,17,22H,1,7-10H2,2-5H3/t15-,17-,19-,20-/m1/s1 |
| InChI Key | ZPATWKILZVWPAI-RARDXLECSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.55% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.92% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.17% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.13% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.90% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.16% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.12% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.45% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.52% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.81% | 99.23% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.72% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.36% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.24% | 96.43% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.22% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.30% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.24% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.12% | 94.62% |
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.
| Jatropha divaricata |
| PubChem | 11001080 |
| LOTUS | LTS0135543 |
| wikiData | Q105380811 |