Myrsinone
| Internal ID | 9e6a0125-5fbd-4a00-8870-7118007c56d8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones > Ubiquinones |
| IUPAC Name | 2,3-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CCCCCCCCCCCC1=CC(=O)C(=C(C1=O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC1=CC(=O)C(=C(C1=O)O)O |
| InChI | InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-12-14(18)16(20)17(21)15(13)19/h12,20-21H,2-11H2,1H3 |
| InChI Key | JPFXYNDBKFIYLX-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C17H26O4 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 5.40 |
| CHEBI:174796 |
| DTXSID301218766 |
| 2,3-dihydroxy-5-undecyl-1,4-benzoquinone |
| 2,3-Dihydroxy-5-undecyl-2,5-cyclohexadiene-1,4-dione |
| 2,3-Dihydroxy-5-undecyl-2,5-cyclohexadiene-1,4-dione, 9CI |
| 2,3-DIHYDROXY-5-UNDECYLCYCLOHEXA-2,5-DIENE-1,4-DIONE |
| 145040-57-9 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.58% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.66% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.04% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.42% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.31% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.25% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.98% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.79% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.68% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.52% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.31% | 92.86% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.22% | 92.68% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.08% | 99.23% |
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.
| Myrsine africana |
| Myrsine melanophloeos |
| PubChem | 137177207 |
| LOTUS | LTS0193959 |
| wikiData | Q105132705 |