Butanedioate;hydron
| Internal ID | f9677414-04f8-4fbd-a4ec-d01bc17c231b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | butanedioate;hydron |
| SMILES (Canonical) | [H+].[H+].C(CC(=O)[O-])C(=O)[O-] |
| SMILES (Isomeric) | [H+].[H+].C(CC(=O)[O-])C(=O)[O-] |
| InChI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| InChI Key | KDYFGRWQOYBRFD-UHFFFAOYSA-N |
| Popularity | 165 references in papers |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.09 g/mol |
| Exact Mass | 118.02660867 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 0.00 |
| 152556-05-3 |
| SCHEMBL126337 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
316.2 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.36% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.90% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.09% | 99.17% |
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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