Anabaenopeptin 931
| Internal ID | 7bfdfb3c-ba10-4493-a8b2-c1daacd433ab |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 2-[[6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-3,12-bis(2-methylsulfinylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H65N7O11S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-63(4)61)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(46-39(32)54)24-27-64(5)62/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60) |
| InChI Key | KYTSBJZZBMUXDA-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C44H65N7O11S2 |
| Molecular Weight | 932.20 g/mol |
| Exact Mass | 931.41834826 g/mol |
| Topological Polar Surface Area (TPSA) | 308.00 Ų |
| XlogP | 1.80 |
| DTXSID701046412 |
| 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 | 99.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.01% | 96.09% |
| CHEMBL268 | P43235 | Cathepsin K | 96.64% | 96.85% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.09% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.89% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.78% | 95.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.01% | 90.08% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.75% | 93.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.32% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.15% | 93.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.60% | 97.64% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.51% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.71% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.73% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.70% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.34% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.97% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.83% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.46% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.51% | 95.50% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.99% | 92.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.83% | 93.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.87% | 95.00% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 81.85% | 90.65% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.44% | 99.18% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.69% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 146684828 |
| LOTUS | LTS0125909 |
| wikiData | Q104203256 |