Rhodopeptin B5
| Internal ID | be7319c1-3b10-47b7-a72d-741bfdff5d08 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3S,6S,13R)-6-(4-aminobutyl)-13-(10-methylundecyl)-3-propan-2-yl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H53N5O4/c1-20(2)14-10-8-6-5-7-9-11-15-22-18-24(34)30-19-25(35)32-23(16-12-13-17-29)27(36)33-26(21(3)4)28(37)31-22/h20-23,26H,5-19,29H2,1-4H3,(H,30,34)(H,31,37)(H,32,35)(H,33,36)/t22-,23+,26+/m1/s1 |
| InChI Key | CQVSTNLAGJAEKO-UMFSSWHCSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C28H53N5O4 |
| Molecular Weight | 523.80 g/mol |
| Exact Mass | 523.40975519 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 4.70 |
| (3S,6S,13R)-6-(4-aminobutyl)-13-(10-methylundecyl)-3-propan-2-yl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone |
| RefChem:179299 |
| CHEBI:205963 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.09% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.04% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.30% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.27% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.53% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.00% | 97.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.83% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.57% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.28% | 95.93% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 92.95% | 91.38% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 92.73% | 93.18% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.59% | 98.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.35% | 90.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.77% | 88.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.55% | 89.34% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.47% | 92.97% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.89% | 97.23% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 87.09% | 96.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.94% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.66% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.80% | 95.50% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 84.46% | 94.55% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.26% | 95.56% |
| CHEMBL2593 | P30419 | Peptide N-myristoyltransferase 1 | 83.91% | 93.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.65% | 96.47% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.91% | 95.92% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.84% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.76% | 92.86% |
| CHEMBL4071 | P08311 | Cathepsin G | 81.65% | 94.64% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.52% | 98.59% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 139588031 |
| LOTUS | LTS0135433 |
| wikiData | Q104968299 |