2-amino-6-[2-[6-(1,2-dihydroxyethyl)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-1-hydroxypropyl]-3H-pteridin-4-one
| Internal ID | 64b70434-9395-4228-9afb-ec7bfc903fc5 |
| Taxonomy | Organoheterocyclic compounds > Pteridines and derivatives > Pterins and derivatives > Biopterins and derivatives |
| IUPAC Name | 2-amino-6-[2-[6-(1,2-dihydroxyethyl)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-1-hydroxypropyl]-3H-pteridin-4-one |
| SMILES (Canonical) | CC(C(C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)OC3C(C(C(C(O3)C(CO)O)O)OC)O |
| SMILES (Isomeric) | CC(C(C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)OC3C(C(C(C(O3)C(CO)O)O)OC)O |
| InChI | InChI=1S/C17H25N5O9/c1-5(9(25)6-3-19-14-8(20-6)15(28)22-17(18)21-14)30-16-11(27)13(29-2)10(26)12(31-16)7(24)4-23/h3,5,7,9-13,16,23-27H,4H2,1-2H3,(H3,18,19,21,22,28) |
| InChI Key | GZGGCZMRCDEKCK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H25N5O9 |
| Molecular Weight | 443.40 g/mol |
| Exact Mass | 443.16522739 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | -4.10 |
| There are no found synonyms. |
![2D Structure of 2-amino-6-[2-[6-(1,2-dihydroxyethyl)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-1-hydroxypropyl]-3H-pteridin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b1bae750-85a2-11ee-912d-9132671154b1.jpg "2D Structure of 2-amino-6-[2-[6-(1,2-dihydroxyethyl)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-1-hydroxypropyl]-3H-pteridin-4-one")
| 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 | 99.55% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.97% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.22% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.12% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.29% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.19% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.69% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.05% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.10% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.63% | 91.11% |
| CHEMBL204 | P00734 | Thrombin | 86.25% | 96.01% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.17% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.05% | 89.34% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 84.34% | 99.23% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.41% | 92.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.01% | 94.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.93% | 92.88% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.80% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.61% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.48% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.20% | 96.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.07% | 95.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.07% | 87.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.26% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.07% | 95.89% |
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 | 162895449 |
| LOTUS | LTS0193941 |
| wikiData | Q104167622 |