(3R)-3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7-dimethyloct-6-en-1-one
| Internal ID | bb03b788-fb2d-4401-b639-af1cc884d256 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | (3R)-3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7-dimethyloct-6-en-1-one |
| SMILES (Canonical) | CC1=C(C(=CC=C1)O)C(=O)CC(C)(CCC=C(C)C)C=C |
| SMILES (Isomeric) | CC1=C(C(=CC=C1)O)C(=O)C[C@@](C)(CCC=C(C)C)C=C |
| InChI | InChI=1S/C19H26O2/c1-6-19(5,12-8-9-14(2)3)13-17(21)18-15(4)10-7-11-16(18)20/h6-7,9-11,20H,1,8,12-13H2,2-5H3/t19-/m1/s1 |
| InChI Key | BPSSOBRNDNFUOQ-LJQANCHMSA-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) | 37.30 Ų |
| XlogP | 6.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.61% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.22% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.96% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.77% | 93.65% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.90% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.77% | 93.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.39% | 91.24% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.25% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.02% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.66% | 97.50% |
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.
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| There are no matching plants. |
| PubChem | 162905886 |
| LOTUS | LTS0183882 |
| wikiData | Q104943784 |