Ubiquinol 10
| Internal ID | 94826f80-3f3d-4a2c-a645-22440ab2c95d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones > Ubiquinols |
| IUPAC Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+ |
| InChI Key | RNUCUWWMTTWKAH-JLHYYAGUSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C19H28O4 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 5.30 |
| Atomic LogP (AlogP) | 4.66 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 7 |
| 5677-55-4 |
| DTXSID701317902 |
| RefChem:1100623 |
| DTXCID90910008 |
| Coenzyme Q10, reduced |
| ubiquinol-2 |
| 2-((2E)-3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-1,4-benzenediol |
| 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol |
| SCHEMBL4368813 |
| CHEMBL2272030 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9862 | 98.62% |
| Caco-2 | + | 0.6978 | 69.78% |
| Blood Brain Barrier | - | 0.6000 | 60.00% |
| Human oral bioavailability | + | 0.5714 | 57.14% |
| Subcellular localzation | Mitochondria | 0.8339 | 83.39% |
| OATP2B1 inhibitior | - | 0.8570 | 85.70% |
| OATP1B1 inhibitior | + | 0.8515 | 85.15% |
| OATP1B3 inhibitior | + | 0.9132 | 91.32% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.6314 | 63.14% |
| BSEP inhibitior | + | 0.6607 | 66.07% |
| P-glycoprotein inhibitior | - | 0.6952 | 69.52% |
| P-glycoprotein substrate | - | 0.9106 | 91.06% |
| CYP3A4 substrate | - | 0.5067 | 50.67% |
| CYP2C9 substrate | + | 0.6000 | 60.00% |
| CYP2D6 substrate | + | 0.4334 | 43.34% |
| CYP3A4 inhibition | + | 0.5287 | 52.87% |
| CYP2C9 inhibition | + | 0.5661 | 56.61% |
| CYP2C19 inhibition | + | 0.7186 | 71.86% |
| CYP2D6 inhibition | - | 0.7231 | 72.31% |
| CYP1A2 inhibition | + | 0.7409 | 74.09% |
| CYP2C8 inhibition | - | 0.7495 | 74.95% |
| CYP inhibitory promiscuity | + | 0.5261 | 52.61% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.7714 | 77.14% |
| Carcinogenicity (trinary) | Non-required | 0.7103 | 71.03% |
| Eye corrosion | - | 0.9787 | 97.87% |
| Eye irritation | - | 0.7357 | 73.57% |
| Skin irritation | - | 0.7186 | 71.86% |
| Skin corrosion | - | 0.9230 | 92.30% |
| Ames mutagenesis | - | 0.7500 | 75.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4430 | 44.30% |
| Micronuclear | - | 0.9000 | 90.00% |
| Hepatotoxicity | - | 0.7224 | 72.24% |
| skin sensitisation | - | 0.5587 | 55.87% |
| Respiratory toxicity | - | 0.6000 | 60.00% |
| Reproductive toxicity | + | 0.6111 | 61.11% |
| Mitochondrial toxicity | - | 0.6000 | 60.00% |
| Nephrotoxicity | - | 0.8448 | 84.48% |
| Acute Oral Toxicity (c) | III | 0.5823 | 58.23% |
| Estrogen receptor binding | + | 0.7685 | 76.85% |
| Androgen receptor binding | - | 0.5678 | 56.78% |
| Thyroid receptor binding | + | 0.6595 | 65.95% |
| Glucocorticoid receptor binding | + | 0.6673 | 66.73% |
| Aromatase binding | - | 0.5253 | 52.53% |
| PPAR gamma | + | 0.6655 | 66.55% |
| Honey bee toxicity | - | 0.9035 | 90.35% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | + | 0.5400 | 54.00% |
| Fish aquatic toxicity | + | 0.9969 | 99.69% |
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 | 94.62% | 91.11% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.63% | 92.68% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.05% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.46% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.04% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.61% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.90% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.70% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.08% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.34% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.29% | 96.09% |
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 | 5280344 |
| LOTUS | LTS0056719 |
| wikiData | Q105241838 |