Rubrumazine A
| Internal ID | 7e0db4cd-9ea3-4c04-95d6-b08e898e7286 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3Z,6S)-3-[[7-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione |
| SMILES (Canonical) | CC1C(=O)NC(=CC2=C(NC3=C(C=CC=C23)CC(C(C)(C)OC)O)C(C)(C)C=C)C(=O)N1 |
| SMILES (Isomeric) | C[C@H]1C(=O)N/C(=C\C2=C(NC3=C(C=CC=C23)C[C@@H](C(C)(C)OC)O)C(C)(C)C=C)/C(=O)N1 |
| InChI | InChI=1S/C25H33N3O4/c1-8-24(3,4)21-17(13-18-23(31)26-14(2)22(30)27-18)16-11-9-10-15(20(16)28-21)12-19(29)25(5,6)32-7/h8-11,13-14,19,28-29H,1,12H2,2-7H3,(H,26,31)(H,27,30)/b18-13-/t14-,19-/m0/s1 |
| InChI Key | GLTPMFUAKYLYRX-LZDXRCLUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H33N3O4 |
| Molecular Weight | 439.50 g/mol |
| Exact Mass | 439.24710654 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | 3.40 |
| CHEMBL3417729 |
| 1667747-15-0 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.35% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.79% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.66% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.63% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.31% | 91.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 94.88% | 92.88% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.11% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.42% | 94.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.63% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.46% | 94.73% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.39% | 90.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.19% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.98% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.87% | 97.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.62% | 94.23% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.60% | 85.31% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.64% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.35% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.97% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.07% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.35% | 91.07% |
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.
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| There are no matching plants. |
| PubChem | 118734973 |
| LOTUS | LTS0112082 |
| wikiData | Q77568734 |