5-Hydroxymethyluridine
| Internal ID | b3203eb3-bfe4-41a4-a032-cfe726863fd4 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleosides |
| IUPAC Name | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione |
| SMILES (Canonical) | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)CO |
| SMILES (Isomeric) | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CO |
| InChI | InChI=1S/C10H14N2O7/c13-2-4-1-12(10(18)11-8(4)17)9-7(16)6(15)5(3-14)19-9/h1,5-7,9,13-16H,2-3H2,(H,11,17,18)/t5-,6-,7-,9-/m1/s1 |
| InChI Key | VQAJJNQKTRZJIQ-JXOAFFINSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C10H14N2O7 |
| Molecular Weight | 274.23 g/mol |
| Exact Mass | 274.08010079 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | -2.30 |
| Atomic LogP (AlogP) | -3.36 |
| H-Bond Acceptor | 8 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 3 |
| 30414-00-7 |
| Uridine, 5-(hydroxymethyl)- |
| 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione |
| 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione |
| 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-(hydroxymethyl)pyrimidine-2,4-dione |
| 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidine-2,4-dione |
| RefChem:102917 |
| 5-(hydroxymethyl)uridine |
| 5-HydroxyMethyl uridine |
| 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.8462 | 84.62% |
| Caco-2 | - | 0.9562 | 95.62% |
| Blood Brain Barrier | + | 0.6250 | 62.50% |
| Human oral bioavailability | - | 0.7000 | 70.00% |
| Subcellular localzation | Nucleus | 0.5868 | 58.68% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8964 | 89.64% |
| OATP1B3 inhibitior | + | 0.9506 | 95.06% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.9659 | 96.59% |
| P-glycoprotein inhibitior | - | 0.9359 | 93.59% |
| P-glycoprotein substrate | - | 0.9739 | 97.39% |
| CYP3A4 substrate | - | 0.5567 | 55.67% |
| CYP2C9 substrate | - | 0.5918 | 59.18% |
| CYP2D6 substrate | - | 0.8725 | 87.25% |
| CYP3A4 inhibition | - | 0.9227 | 92.27% |
| CYP2C9 inhibition | - | 0.9555 | 95.55% |
| CYP2C19 inhibition | - | 0.9307 | 93.07% |
| CYP2D6 inhibition | - | 0.9225 | 92.25% |
| CYP1A2 inhibition | - | 0.9330 | 93.30% |
| CYP2C8 inhibition | - | 0.9780 | 97.80% |
| CYP inhibitory promiscuity | - | 0.9642 | 96.42% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.8500 | 85.00% |
| Carcinogenicity (trinary) | Non-required | 0.5200 | 52.00% |
| Eye corrosion | - | 0.9900 | 99.00% |
| Eye irritation | - | 0.9391 | 93.91% |
| Skin irritation | - | 0.7819 | 78.19% |
| Skin corrosion | - | 0.9485 | 94.85% |
| Ames mutagenesis | + | 0.7700 | 77.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7356 | 73.56% |
| Micronuclear | + | 1.0000 | 100.00% |
| Hepatotoxicity | + | 0.7387 | 73.87% |
| skin sensitisation | - | 0.8710 | 87.10% |
| Respiratory toxicity | + | 0.7111 | 71.11% |
| Reproductive toxicity | + | 0.9667 | 96.67% |
| Mitochondrial toxicity | + | 0.9125 | 91.25% |
| Nephrotoxicity | - | 0.7764 | 77.64% |
| Acute Oral Toxicity (c) | III | 0.5386 | 53.86% |
| Estrogen receptor binding | - | 0.6568 | 65.68% |
| Androgen receptor binding | + | 0.5953 | 59.53% |
| Thyroid receptor binding | - | 0.5856 | 58.56% |
| Glucocorticoid receptor binding | + | 0.5553 | 55.53% |
| Aromatase binding | - | 0.5407 | 54.07% |
| PPAR gamma | + | 0.6552 | 65.52% |
| Honey bee toxicity | - | 0.8883 | 88.83% |
| Biodegradation | - | 0.7500 | 75.00% |
| Crustacea aquatic toxicity | - | 0.7600 | 76.00% |
| Fish aquatic toxicity | - | 0.8510 | 85.10% |
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 |
|---|---|---|---|---|
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.64% | 86.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.24% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.02% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.25% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.64% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.19% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.16% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.68% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.79% | 94.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.03% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.86% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.58% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.05% | 88.56% |
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 | 121698 |
| LOTUS | LTS0167406 |
| wikiData | Q82931430 |