[(2S,3S)-3-[2-(dimethylamino)-4-oxo-3H-pteridin-6-yl]-2,3-dihydroxypropyl] dihydrogen phosphate
| Internal ID | 6f7628a9-3f68-4aa7-90cf-272951f1b98c |
| Taxonomy | Organoheterocyclic compounds > Pteridines and derivatives > Pterins and derivatives > Biopterins and derivatives |
| IUPAC Name | [(2S,3S)-3-[2-(dimethylamino)-4-oxo-3H-pteridin-6-yl]-2,3-dihydroxypropyl] dihydrogen phosphate |
| SMILES (Canonical) | CN(C)C1=NC2=NC=C(N=C2C(=O)N1)C(C(COP(=O)(O)O)O)O |
| SMILES (Isomeric) | CN(C)C1=NC2=NC=C(N=C2C(=O)N1)[C@@H]([C@H](COP(=O)(O)O)O)O |
| InChI | InChI=1S/C11H16N5O7P/c1-16(2)11-14-9-7(10(19)15-11)13-5(3-12-9)8(18)6(17)4-23-24(20,21)22/h3,6,8,17-18H,4H2,1-2H3,(H2,20,21,22)(H,12,14,15,19)/t6-,8-/m0/s1 |
| InChI Key | PQIINIMTYXULNU-XPUUQOCRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H16N5O7P |
| Molecular Weight | 361.25 g/mol |
| Exact Mass | 361.07873486 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | -4.00 |
| There are no found synonyms. |
![2D Structure of [(2S,3S)-3-[2-(dimethylamino)-4-oxo-3H-pteridin-6-yl]-2,3-dihydroxypropyl] dihydrogen phosphate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s-3-2-dimethylamino-4-oxo-3h-pteridin-6-yl-23-dihydroxypropyl-dihydrogen-phosphate.jpg "2D Structure of [(2S,3S)-3-[2-(dimethylamino)-4-oxo-3H-pteridin-6-yl]-2,3-dihydroxypropyl] dihydrogen phosphate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.15% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.78% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.25% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.16% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.60% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.52% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.18% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.76% | 89.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.52% | 97.29% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.51% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.36% | 99.17% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 87.01% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.11% | 94.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.73% | 88.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.25% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.32% | 89.67% |
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 | 163193450 |
| LOTUS | LTS0071595 |
| wikiData | Q105213247 |