[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate
| Internal ID | 6c239cd8-cc83-4313-b306-f7ae12c330cb |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses |
| IUPAC Name | [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate |
| SMILES (Canonical) | CC1=NCCC(N1)C(=O)OOC2C(C(C(O2)CO)O)O |
| SMILES (Isomeric) | CC1=NCC[C@@H](N1)C(=O)OO[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
| InChI | InChI=1S/C11H18N2O7/c1-5-12-3-2-6(13-5)10(17)19-20-11-9(16)8(15)7(4-14)18-11/h6-9,11,14-16H,2-4H2,1H3,(H,12,13)/t6-,7-,8-,9-,11+/m1/s1 |
| InChI Key | XWPMRSCVYZQHCL-VCMDJLOCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H18N2O7 |
| Molecular Weight | 290.27 g/mol |
| Exact Mass | 290.11140092 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -1.90 |
| 102731-62-4 |
| (6R)-6-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-methyl-4,5-dihydro-1H-pyrimidine-6-carboxylic acid |
| 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(beta-D-ribofuranosyloxy)-, (R)- |
![2D Structure of [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate](https://plantaedb.com/storage/docs/compounds/2023/11/fb54c800-86d5-11ee-bbeb-af2ae1f3c699.jpg "2D Structure of [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.59% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.21% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.40% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.38% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.91% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.52% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.08% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.47% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.42% | 99.23% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.06% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.78% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.25% | 94.33% |
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.
| Lotus tenuis |
| PubChem | 128194 |
| LOTUS | LTS0108121 |
| wikiData | Q105343696 |