Laccarin A
| Internal ID | 12e0f210-bb9a-41fb-9dd4-24bf58729ae2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives |
| IUPAC Name | (7S,7aR)-3-acetyl-4-(4-aminobutanoyl)-7-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridin-2-one |
| SMILES (Canonical) | CC1CCN(C2=C(C(=O)NC12)C(=O)C)C(=O)CCCN |
| SMILES (Isomeric) | C[C@H]1CCN(C2=C(C(=O)N[C@H]12)C(=O)C)C(=O)CCCN |
| InChI | InChI=1S/C14H21N3O3/c1-8-5-7-17(10(19)4-3-6-15)13-11(9(2)18)14(20)16-12(8)13/h8,12H,3-7,15H2,1-2H3,(H,16,20)/t8-,12+/m0/s1 |
| InChI Key | VXFFZKQBHIIPCJ-QPUJVOFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H21N3O3 |
| Molecular Weight | 279.33 g/mol |
| Exact Mass | 279.15829154 g/mol |
| Topological Polar Surface Area (TPSA) | 92.50 Ų |
| XlogP | -1.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.22% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.40% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.80% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.01% | 82.69% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.66% | 93.18% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.72% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.04% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.28% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.50% | 90.71% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 83.57% | 80.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.37% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.03% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.99% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.78% | 93.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.38% | 98.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.14% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.25% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.04% | 94.45% |
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 | 139583283 |
| LOTUS | LTS0212325 |
| wikiData | Q75058519 |