H-Ala-Gly-Val-Thr-Ser-Arg-OH
| Internal ID | 7cc64e6c-db8a-41c1-b569-2cf3e81ec268 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| SMILES (Canonical) | CC(C)C(C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(C)N |
| SMILES (Isomeric) | C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](C)N)O |
| InChI | InChI=1S/C23H43N9O9/c1-10(2)16(31-15(35)8-28-18(36)11(3)24)20(38)32-17(12(4)34)21(39)30-14(9-33)19(37)29-13(22(40)41)6-5-7-27-23(25)26/h10-14,16-17,33-34H,5-9,24H2,1-4H3,(H,28,36)(H,29,37)(H,30,39)(H,31,35)(H,32,38)(H,40,41)(H4,25,26,27)/t11-,12+,13-,14-,16-,17-/m0/s1 |
| InChI Key | VRVBXIXFQDAXOD-KHYRULFTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H43N9O9 |
| Molecular Weight | 589.60 g/mol |
| Exact Mass | 589.31837398 g/mol |
| Topological Polar Surface Area (TPSA) | 314.00 Ų |
| XlogP | -6.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.33% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.21% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.67% | 96.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.60% | 99.35% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 96.51% | 97.88% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.26% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 95.18% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.57% | 99.17% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 93.89% | 98.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.80% | 91.11% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 93.79% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.27% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.88% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.37% | 94.45% |
| CHEMBL3776 | Q14790 | Caspase-8 | 92.25% | 97.06% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.19% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.73% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.72% | 96.47% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.70% | 96.61% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.48% | 93.10% |
| CHEMBL3308 | P55212 | Caspase-6 | 89.26% | 97.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.74% | 98.05% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.64% | 90.20% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.74% | 98.33% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.63% | 89.33% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 87.24% | 96.67% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.05% | 92.29% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.76% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.37% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.36% | 94.66% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.28% | 97.23% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.15% | 96.67% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 84.37% | 98.89% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 83.62% | 88.42% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.50% | 89.63% |
| CHEMBL204 | P00734 | Thrombin | 83.31% | 96.01% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.04% | 95.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.68% | 89.50% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.13% | 96.03% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.67% | 95.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.01% | 95.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.95% | 97.21% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.91% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.15% | 95.58% |
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.
| Phytolacca americana |
| PubChem | 162859611 |
| LOTUS | LTS0196368 |
| wikiData | Q105291981 |