Paliurine I
| Internal ID | 91d1ce57-d152-4bd4-931d-1e7fc938a486 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S,3S)-N-[(2S)-1-[(3S,10S,13E)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-3-methyl-2-(methylamino)pentanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H49N5O6/c1-7-23(4)31(37-5)34(43)40-28(19-22(2)3)36(45)41-18-16-30-32(41)35(44)39-27(20-24-11-9-8-10-12-24)33(42)38-17-15-25-21-26(47-30)13-14-29(25)46-6/h8-15,17,21-23,27-28,30-32,37H,7,16,18-20H2,1-6H3,(H,38,42)(H,39,44)(H,40,43)/b17-15+/t23-,27-,28-,30-,31-,32?/m0/s1 |
| InChI Key | LLZKJMREUXHIRU-AGVBJAGVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H49N5O6 |
| Molecular Weight | 647.80 g/mol |
| Exact Mass | 647.36828430 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 4.80 |
| RefChem:928511 |
| (2S,3S)-N-((2S)-1-((3S,10S,13E)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo(13.3.1.03,7)nonadeca-1(19),13,15,17-tetraen-6-yl)-4-methyl-1-oxopentan-2-yl)-3-methyl-2-(methylamino)pentanamide |
| 403842-58-0 |
| 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 | 99.66% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.27% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.01% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.55% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 96.37% | 97.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.90% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.50% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.19% | 98.33% |
| CHEMBL204 | P00734 | Thrombin | 91.86% | 96.01% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.42% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.00% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.24% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.19% | 95.89% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.57% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.29% | 89.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.74% | 94.66% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.37% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.12% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.04% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.98% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 84.57% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.75% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.02% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.98% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.79% | 90.71% |
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.
| Paliurus ramosissimus |
| PubChem | 101204324 |
| LOTUS | LTS0071388 |
| wikiData | Q105153802 |