Dihydroasparagusic acid
| Internal ID | 16d0cf09-6a30-42ce-916e-28c7d5112049 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acids |
| IUPAC Name | 3-sulfanyl-2-(sulfanylmethyl)propanoic acid |
| SMILES (Canonical) | C(C(CS)C(=O)O)S |
| SMILES (Isomeric) | C(C(CS)C(=O)O)S |
| InChI | InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6) |
| InChI Key | KRHAHEQEKNJCSD-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C4H8O2S2 |
| Molecular Weight | 152.20 g/mol |
| Exact Mass | 151.99657184 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 0.30 |
| 3-Sulfanyl-2-(sulfanylmethyl)propanoic acid |
| Dihydroasparagusic acid |
| 3-mercapto-2-(mercaptomethyl)propanoic acid |
| 1,3-dimercapto-2-carboxypropane |
| 3-mercapto-2-mercaptomethylpropanoic acid |
| Propanoic acid, 3-mercapto-2-(mercaptomethyl)- |
| B9JNH9G488 |
| 3-Mercapto-2-[mercaptomethyl]propionic acid |
| 3-Mercapto-2-mercaptomethylpropanoate |
| Propionic acid, 3-mercapto-2-(mercaptomethyl)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.93% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.24% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.69% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.94% | 98.95% |
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 | 440312 |
| LOTUS | LTS0163600 |
| wikiData | Q27102722 |