H-Thr-Glu-Lys-Ile-Glu-Ala-Lys-Phe-OH
| Internal ID | 7cd62e0c-b02a-4317-9492-bf3afc6084e1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (4S)-5-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)N |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)N |
| InChI | InChI=1S/C44H72N10O14/c1-5-24(2)36(54-41(64)29(16-10-12-22-46)50-40(63)31(18-20-34(58)59)51-42(65)35(47)26(4)55)43(66)52-30(17-19-33(56)57)38(61)48-25(3)37(60)49-28(15-9-11-21-45)39(62)53-32(44(67)68)23-27-13-7-6-8-14-27/h6-8,13-14,24-26,28-32,35-36,55H,5,9-12,15-23,45-47H2,1-4H3,(H,48,61)(H,49,60)(H,50,63)(H,51,65)(H,52,66)(H,53,62)(H,54,64)(H,56,57)(H,58,59)(H,67,68)/t24-,25-,26+,28-,29-,30-,31-,32-,35-,36-/m0/s1 |
| InChI Key | RZNGQHYIPKTTHA-QYECVXRESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H72N10O14 |
| Molecular Weight | 965.10 g/mol |
| Exact Mass | 964.52294701 g/mol |
| Topological Polar Surface Area (TPSA) | 414.00 Ų |
| XlogP | -8.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.76% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.96% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.48% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.38% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.96% | 99.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.69% | 98.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.45% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.54% | 97.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.79% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.09% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.87% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.16% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.25% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.58% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.36% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.96% | 97.06% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.70% | 97.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.64% | 90.71% |
| CHEMBL4296013 | Q5VWK5 | Interleukin-23 receptor | 82.61% | 88.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.92% | 98.05% |
| CHEMBL3308 | P55212 | Caspase-6 | 81.48% | 97.56% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 81.10% | 98.89% |
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 | 162928086 |
| LOTUS | LTS0269436 |
| wikiData | Q105248462 |