Asparagusic acid
| Internal ID | 5f75eaf6-cf0d-499a-9016-e220b2bd25a7 |
| Taxonomy | Organoheterocyclic compounds > Dithiolanes > Dithiolanecarboxylic acids > 1,2-dithiolanecarboxylic acids > 1,2-dithiolane-4-carboxylic acids |
| IUPAC Name | dithiolane-4-carboxylic acid |
| SMILES (Canonical) | C1C(CSS1)C(=O)O |
| SMILES (Isomeric) | C1C(CSS1)C(=O)O |
| InChI | InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6) |
| InChI Key | AYGMEFRECNWRJC-UHFFFAOYSA-N |
| Popularity | 39 references in papers |
| Molecular Formula | C4H6O2S2 |
| Molecular Weight | 150.20 g/mol |
| Exact Mass | 149.98092178 g/mol |
| Topological Polar Surface Area (TPSA) | 87.90 Ų |
| XlogP | 0.20 |
| 1,2-DITHIOLANE-4-CARBOXYLIC ACID |
| 2224-02-4 |
| dithiolane-4-carboxylic acid |
| VAD3XV509R |
| PH 800/21 |
| Asparagusicacid |
| BRN 0112178 |
| UNII-VAD3XV509R |
| ASPARAGUSIC ACID [MI] |
| SCHEMBL2796676 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.68% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.64% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.48% | 96.09% |
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.
| Asparagus officinalis |
| PubChem | 16682 |
| LOTUS | LTS0166943 |
| wikiData | Q312125 |