Olympicin D
| Internal ID | 9bfeff22-01c3-47bb-b565-dfa184fa85c4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[2-[(2E)-6-hydroperoxy-3,7-dimethylocta-2,7-dienoxy]-4,6-dihydroxyphenyl]-2-methylbutan-1-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C(C=C(C=C1OCC=C(C)CCC(C(=C)C)OO)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)C1=C(C=C(C=C1OC/C=C(\C)/CCC(C(=C)C)OO)O)O |
| InChI | InChI=1S/C21H30O6/c1-6-15(5)21(24)20-17(23)11-16(22)12-19(20)26-10-9-14(4)7-8-18(27-25)13(2)3/h9,11-12,15,18,22-23,25H,2,6-8,10H2,1,3-5H3/b14-9+ |
| InChI Key | BMEORAQEILRDFC-NTEUORMPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.20 |
| CHEMBL2023361 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.01% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.70% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.71% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.93% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.75% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.51% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.92% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.36% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.78% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.72% | 86.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.72% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.57% | 97.23% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.84% | 82.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.76% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.23% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.29% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.16% | 93.10% |
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.
| Hypericum olympicum |
| PubChem | 57379194 |
| LOTUS | LTS0221709 |
| wikiData | Q104938365 |