Scytonemide A
| Internal ID | 87e37896-5e3e-4d58-9fb0-ebae983b3014 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 3-[(2R,5S,8S,11S,14S,17S)-5-[(2S)-butan-2-yl]-8-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-14-(2-methylpropyl)-3,6,9,12,18,21-hexaoxo-11-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicos-15-en-2-yl]propanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H56N8O9/c1-7-21(6)31-36(53)42-27(18-45)34(51)43-30(20(4)5)35(52)40-23(14-19(2)3)16-38-26(15-22-8-10-24(46)11-9-22)32(49)39-17-29(48)41-25(33(50)44-31)12-13-28(37)47/h8-11,16,19-21,23,25-27,30-31,45-46H,7,12-15,17-18H2,1-6H3,(H2,37,47)(H,39,49)(H,40,52)(H,41,48)(H,42,53)(H,43,51)(H,44,50)/t21-,23-,25+,26-,27-,30-,31-/m0/s1 |
| InChI Key | HJKXQQVDTIEFDD-ADDJGAGCSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C36H56N8O9 |
| Molecular Weight | 744.90 g/mol |
| Exact Mass | 744.41702539 g/mol |
| Topological Polar Surface Area (TPSA) | 271.00 Ų |
| XlogP | 1.30 |
| CHEMBL5204252 |
| CHEBI:70589 |
| DTXSID301335201 |
| BDBM50593519 |
| Q27138921 |
| 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 | 98.99% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.75% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.83% | 94.45% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.42% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 96.96% | 93.10% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 95.71% | 99.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.16% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.84% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.21% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.07% | 97.09% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 91.36% | 96.69% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 90.98% | 97.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.48% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.17% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.93% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.47% | 99.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.06% | 97.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.48% | 90.71% |
| CHEMBL4071 | P08311 | Cathepsin G | 85.60% | 94.64% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.22% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.72% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.42% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.22% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.84% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.96% | 95.93% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.67% | 88.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.49% | 98.75% |
| CHEMBL268 | P43235 | Cathepsin K | 80.12% | 96.85% |
| CHEMBL1949 | P62937 | Cyclophilin A | 80.02% | 98.57% |
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 | 50900680 |
| LOTUS | LTS0101962 |
| wikiData | Q104246245 |