3-Hydroxy-4-butanolide
| Internal ID | 73e6a61b-2c51-43aa-aa00-23a396aba57c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one |
| SMILES (Canonical) | C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2 |
| InChI Key | MQEPWBMWFIVRPS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H16O8 |
| Molecular Weight | 264.23 g/mol |
| Exact Mass | 264.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | -2.40 |
| (+)-Kinsenoside |
| CHEBI:174468 |
| BCP18590 |
| 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.18% | 97.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.55% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.46% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.99% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.80% | 86.92% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.65% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.92% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.71% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.26% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.14% | 94.45% |
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.
| Anoectochilus formosanus |
| Anoectochilus koshunensis |
| Crocus sativus |
| Goodyera schlechtendaliana |
| PubChem | 72569818 |
| LOTUS | LTS0218526 |
| wikiData | Q105169945 |