2-[[5-(Diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoic acid
| Internal ID | 31fe9444-6b1a-4fea-ba9c-beb6200f58ff |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[[5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H23N5O7/c17-16(18)19-6-2-4-9(14(26)21-10(7-22)15(27)28)20-13(25)8-3-1-5-11(23)12(8)24/h1,3,5,9-10,22-24H,2,4,6-7H2,(H,20,25)(H,21,26)(H,27,28)(H4,17,18,19) |
| InChI Key | LXNCWECCTQQXPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23N5O7 |
| Molecular Weight | 397.38 g/mol |
| Exact Mass | 397.15974809 g/mol |
| Topological Polar Surface Area (TPSA) | 221.00 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
![2D Structure of 2-[[5-(Diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7e324fd0-859a-11ee-b2a2-d586c1eb2073.jpg "2D Structure of 2-[[5-(Diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxypropanoic acid")
| 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 | 96.92% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.05% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.15% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.64% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.22% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.63% | 100.00% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 89.75% | 97.88% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.40% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.85% | 96.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 87.81% | 82.86% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.34% | 90.17% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.90% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.69% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.49% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 80.81% | 97.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.27% | 92.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 21778697 |
| LOTUS | LTS0215628 |
| wikiData | Q104171425 |