1,1'-Dioxine-2,2'-dipropionic acid
| Internal ID | 4d28d8ca-14e5-4974-9d7f-b9b73619310a |
| Taxonomy | Organoheterocyclic compounds > Dioxins > Para dioxins |
| IUPAC Name | 3-[5-(2-carboxyethyl)-1,4-dioxin-2-yl]propanoic acid |
| SMILES (Canonical) | C1=C(OC=C(O1)CCC(=O)O)CCC(=O)O |
| SMILES (Isomeric) | C1=C(OC=C(O1)CCC(=O)O)CCC(=O)O |
| InChI | InChI=1S/C10H12O6/c11-9(12)3-1-7-5-16-8(6-15-7)2-4-10(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14) |
| InChI Key | WURHVUVQHWJXRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H12O6 |
| Molecular Weight | 228.20 g/mol |
| Exact Mass | 228.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 87.26% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.19% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.09% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.84% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.58% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.38% | 86.33% |
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 | 145720708 |
| LOTUS | LTS0222636 |
| wikiData | Q104200652 |