Bz(2,3-diOH)-DL-Lys-DL-Ser-(2).Bz(2,3-diOH)-DL-Lys-DL-Ser(1)-OH.Bz(2,3-diOH)-DL-Lys-DL-Ser(2)-(1)
| Internal ID | cd00cfd2-1dc0-4dc8-8b17-4a5e9f7e2c8e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[[6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-[2-[[6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-[2-[[6-amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoyl]oxypropanoyl]oxypropanoic acid |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)OCC(C(=O)OCC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C(CCCCN)NC(=O)C3=C(C(=CC=C3)O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)OCC(C(=O)OCC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C(CCCCN)NC(=O)C3=C(C(=CC=C3)O)O |
| InChI | InChI=1S/C48H65N9O19/c49-19-4-1-13-28(52-40(65)25-10-7-16-34(59)37(25)62)43(68)55-31(22-58)47(73)76-24-33(57-45(70)30(15-3-6-21-51)54-42(67)27-12-9-18-36(61)39(27)64)48(74)75-23-32(46(71)72)56-44(69)29(14-2-5-20-50)53-41(66)26-11-8-17-35(60)38(26)63/h7-12,16-18,28-33,58-64H,1-6,13-15,19-24,49-51H2,(H,52,65)(H,53,66)(H,54,67)(H,55,68)(H,56,69)(H,57,70)(H,71,72) |
| InChI Key | YTIOHQGZCPYGOD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H65N9O19 |
| Molecular Weight | 1072.10 g/mol |
| Exact Mass | 1071.43967088 g/mol |
| Topological Polar Surface Area (TPSA) | 484.00 Ų |
| XlogP | -2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.84% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.08% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.12% | 99.17% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 93.75% | 82.86% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.82% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.94% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.49% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.58% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.28% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.45% | 99.15% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.94% | 93.04% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.91% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.62% | 100.00% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 84.34% | 92.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.93% | 94.73% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.81% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.73% | 97.50% |
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 | 76020826 |
| LOTUS | LTS0053609 |
| wikiData | Q104202056 |