4a-Hydroxytetrahydrobiopterin
| Internal ID | 403b06ff-9a9e-455a-9cbe-cef377d9af14 |
| Taxonomy | Organoheterocyclic compounds > Pteridines and derivatives > Pterins and derivatives > Biopterins and derivatives |
| IUPAC Name | (4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-3,5,6,7-tetrahydropteridin-4-one |
| SMILES (Canonical) | CC(C(C1CN=C2C(N1)(C(=O)NC(=N2)N)O)O)O |
| SMILES (Isomeric) | C[C@@H]([C@@H]([C@H]1CN=C2[C@@](N1)(C(=O)NC(=N2)N)O)O)O |
| InChI | InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1 |
| InChI Key | KJKIEFUPAPPGBC-XXKOCQOQSA-N |
| Popularity | 25 references in papers |
| Molecular Formula | C9H15N5O4 |
| Molecular Weight | 257.25 g/mol |
| Exact Mass | 257.11240398 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | -3.70 |
| 4a-Hydroxytetrahydrobiopterin |
| 4a-Hydroxy-5,6,4,8-tetrahydrobiopterin |
| 4a-Hydroxy-5,6,7,8-tetrahydrobiopterin |
| 4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin |
| 4a-hydroxy-tetrahydropterin |
| 4alpha-Hydroxytetrahydrobiopterin |
| CHEBI:15642 |
| 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4aH)-one |
| (6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4aH)-one |
| (6R)-4a-hydroxy-tetrahydrobiopterin |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.28% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.17% | 94.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.89% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.29% | 90.08% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.25% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.21% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.64% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.31% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.59% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.19% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.98% | 95.56% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.33% | 95.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.91% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.90% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.68% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.39% | 88.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.02% | 92.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.84% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.01% | 90.24% |
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.
| There are no matching plants. |
| PubChem | 135476770 |
| LOTUS | LTS0162453 |
| wikiData | Q74417390 |