Rubrumline J
| Internal ID | e01e6e08-946f-4ace-82e8-4c8d92c2fa78 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6S)-3-(hydroxymethyl)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3C(=O)NC(C(=O)N3)CO |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N[C@H](C(=O)N3)CO |
| InChI | InChI=1S/C19H23N3O3/c1-4-19(2,3)16-12(11-7-5-6-8-13(11)20-16)9-14-17(24)22-15(10-23)18(25)21-14/h4-8,14-15,20,23H,1,9-10H2,2-3H3,(H,21,25)(H,22,24)/t14-,15-/m0/s1 |
| InChI Key | ALXJKUQKWHRWQQ-GJZGRUSLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H23N3O3 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.17394160 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 2.70 |
| CHEMBL3417730 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.36% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.82% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.36% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.28% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.31% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.99% | 88.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.96% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.49% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.73% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.30% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.31% | 92.97% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.41% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.59% | 89.00% |
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 | 118734974 |
| LOTUS | LTS0121148 |
| wikiData | Q77508854 |