3,4-Dihydroxy-3-methyloxolan-2-one
| Internal ID | 9c3c02d8-bb8f-4c88-920c-fc166592da05 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 3,4-dihydroxy-3-methyloxolan-2-one |
| SMILES (Canonical) | CC1(C(COC1=O)O)O |
| SMILES (Isomeric) | CC1(C(COC1=O)O)O |
| InChI | InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3 |
| InChI Key | OHTGZAWPVDWARE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C5H8O4 |
| Molecular Weight | 132.11 g/mol |
| Exact Mass | 132.04225873 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | -1.20 |
| 2-C-Methyl-1,4-erythrono-D-lactone |
| 63700-30-1 |
| 2(3H)-Furanone, dihydro-3,4-dihydroxy-3-methyl- |
| SCHEMBL7262112 |
| DTXSID20466785 |
| CHEBI:173531 |
| OHTGZAWPVDWARE-UHFFFAOYSA-N |
| AKOS032948381 |
| 3,4-Di- hydroxy-3-methyl-dihydro-2(3H)-furanon |
| Dihydro-3,4-dihyroxy-3-methyl-2 (3H)-furanone |
| 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 | 89.52% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.64% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.39% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.48% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.42% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.26% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.16% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.90% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.17% | 97.25% |
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.
| Anaphalis margaritacea |
| Erophaca baetica subsp. baetica |
| Hymenoxys richardsonii |
| Leucaena leucocephala |
| Magnolia arcabucoana |
| Orixa japonica |
| Xanthium strumarium |
| PubChem | 11469098 |
| LOTUS | LTS0168418 |
| wikiData | Q82293418 |