Fellutanine A epoxide
| Internal ID | 87119669-2b87-4f8b-8d99-f6cfb893e2b9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6S)-3-[[(1aS,6bS)-1a,2-dihydrooxireno[2,3-b]indol-6b-yl]methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C(=O)N3)CC45C(O4)NC6=CC=CC=C56 |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N3)C[C@]45[C@H](O4)NC6=CC=CC=C56 |
| InChI | InChI=1S/C22H20N4O3/c27-19-17(9-12-11-23-15-7-3-1-5-13(12)15)24-20(28)18(25-19)10-22-14-6-2-4-8-16(14)26-21(22)29-22/h1-8,11,17-18,21,23,26H,9-10H2,(H,24,28)(H,25,27)/t17-,18-,21-,22-/m0/s1 |
| InChI Key | ISNSFZNUXFJHFZ-GPHNJDIKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20N4O3 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15354051 g/mol |
| Topological Polar Surface Area (TPSA) | 98.60 Ų |
| XlogP | 2.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.44% | 91.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.35% | 88.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.22% | 94.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.62% | 98.59% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.95% | 94.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.35% | 83.10% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.82% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.24% | 94.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 91.64% | 90.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 89.96% | 96.39% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.86% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.51% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.31% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.14% | 93.99% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 87.31% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.10% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.42% | 94.23% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.74% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.56% | 89.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 83.81% | 81.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.80% | 96.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.55% | 95.71% |
| CHEMBL4531 | P17931 | Galectin-3 | 81.66% | 96.90% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.40% | 89.44% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.08% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.48% | 94.73% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.38% | 91.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.10% | 85.14% |
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 | 139590389 |
| LOTUS | LTS0012403 |
| wikiData | Q105119651 |