[4,5-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-2-methyloxan-3-yl] 9-octa-2,4-dienoyloxydeca-2,4,7-trienoate
| Internal ID | d5e27ded-5e00-4cf2-bd94-2c24973a49dd |
| Taxonomy | Nucleosides, nucleotides, and analogues > Purine nucleosides |
| IUPAC Name | [4,5-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-2-methyloxan-3-yl] 9-octa-2,4-dienoyloxydeca-2,4,7-trienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H44N4O12/c1-4-5-6-8-12-15-23(40)46-20(2)14-11-9-7-10-13-16-24(41)49-29-21(3)47-34(28(44)27(29)43)50-30-26(42)22(17-39)48-33(30)38-19-37-25-31(38)35-18-36-32(25)45/h6-8,10-16,18-22,26-30,33-34,39,42-44H,4-5,9,17H2,1-3H3,(H,35,36,45) |
| InChI Key | KZAQVIOGOYWYER-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H44N4O12 |
| Molecular Weight | 700.70 g/mol |
| Exact Mass | 700.29557285 g/mol |
| Topological Polar Surface Area (TPSA) | 220.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [4,5-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-2-methyloxan-3-yl] 9-octa-2,4-dienoyloxydeca-2,4,7-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/a58f4f20-86fe-11ee-bdfd-afaee3b8fee0.jpg "2D Structure of [4,5-dihydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-2-methyloxan-3-yl] 9-octa-2,4-dienoyloxydeca-2,4,7-trienoate")
| 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 | 96.34% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.21% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.74% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.95% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.94% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.48% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.71% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.45% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.22% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.45% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.69% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.38% | 95.93% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.99% | 89.34% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.11% | 80.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.41% | 94.45% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 82.46% | 95.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.84% | 86.92% |
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 | 162908005 |
| LOTUS | LTS0198446 |
| wikiData | Q105148045 |