Lhffrrdcdothhs-uhnvwzdzsa-
| Internal ID | ca09f173-30f3-421f-8488-f49a56893847 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols > N-acylethanolamines |
| IUPAC Name | (3S,4R)-4-hydroxy-N-(2-hydroxyethyl)dithiolane-3-carboxamide |
| SMILES (Canonical) | C1C(C(SS1)C(=O)NCCO)O |
| SMILES (Isomeric) | C1[C@H]([C@H](SS1)C(=O)NCCO)O |
| InChI | InChI=1S/C6H11NO3S2/c8-2-1-7-6(10)5-4(9)3-11-12-5/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5+/m1/s1 |
| InChI Key | LHFFRRDCDOTHHS-UHNVWZDZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H11NO3S2 |
| Molecular Weight | 209.30 g/mol |
| Exact Mass | 209.01803556 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | -0.70 |
| InChI=1/C6H11NO3S2/c8-2-1-7-6(10)5-4(9)3-11-12-5/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5+/m1/s1 |
| 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 | 95.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.73% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.33% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.29% | 96.95% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 83.66% | 90.48% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.49% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.22% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.53% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.14% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.05% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.03% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.85% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.30% | 95.93% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.13% | 96.67% |
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.
| Cassipourea guianensis |
| PubChem | 10536395 |
| LOTUS | LTS0107991 |
| wikiData | Q105151739 |