Arestrictin A
| Internal ID | 75de9e51-5b88-4270-b55c-edf646bf2bc7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6S)-3-[hydroxy-[2-(2-methylbut-3-en-2-yl)-6,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione |
| SMILES (Canonical) | CC1C(=O)NC(C(=O)N1)C(C2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C)O |
| SMILES (Isomeric) | C[C@H]1C(=O)N[C@H](C(=O)N1)C(C2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C)O |
| InChI | InChI=1S/C29H39N3O3/c1-9-29(7,8)26-22(25(33)24-28(35)30-18(6)27(34)32-24)21-15-13-19(12-10-16(2)3)20(23(21)31-26)14-11-17(4)5/h9-11,13,15,18,24-25,31,33H,1,12,14H2,2-8H3,(H,30,35)(H,32,34)/t18-,24-,25?/m0/s1 |
| InChI Key | FAJDKWDVIHHSTP-SYZSWVGQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H39N3O3 |
| Molecular Weight | 477.60 g/mol |
| Exact Mass | 477.29914211 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.98% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.67% | 97.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.53% | 98.59% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.89% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.54% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.31% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.05% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 90.31% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.48% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.72% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.53% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.71% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.63% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.48% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.30% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.93% | 92.88% |
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 | 139588472 |
| LOTUS | LTS0192464 |
| wikiData | Q104992292 |