H-DL-xiIle-DL-Ser-Gly-DL-Gln-Gly-DL-Ser-DL-Phe-DL-xiThr-DL-Glu-DL-Lys-OH
| Internal ID | e5f65b91-94df-4903-8ef5-c8a69034bc39 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)N |
| SMILES (Isomeric) | CCC(C)C(C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)N |
| InChI | InChI=1S/C45H72N12O17/c1-4-23(2)36(48)43(71)56-30(21-58)39(67)50-19-33(62)51-26(13-15-32(47)61)38(66)49-20-34(63)52-31(22-59)42(70)55-29(18-25-10-6-5-7-11-25)41(69)57-37(24(3)60)44(72)53-27(14-16-35(64)65)40(68)54-28(45(73)74)12-8-9-17-46/h5-7,10-11,23-24,26-31,36-37,58-60H,4,8-9,12-22,46,48H2,1-3H3,(H2,47,61)(H,49,66)(H,50,67)(H,51,62)(H,52,63)(H,53,72)(H,54,68)(H,55,70)(H,56,71)(H,57,69)(H,64,65)(H,73,74) |
| InChI Key | PZSXGMCALXOKGN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H72N12O17 |
| Molecular Weight | 1053.10 g/mol |
| Exact Mass | 1052.51383888 g/mol |
| Topological Polar Surface Area (TPSA) | 492.00 Ų |
| XlogP | -10.10 |
| 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 | 99.92% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.76% | 83.82% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 99.59% | 90.20% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.21% | 90.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.07% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.50% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.79% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.18% | 91.11% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.76% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.54% | 98.33% |
| CHEMBL4296013 | Q5VWK5 | Interleukin-23 receptor | 94.29% | 88.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.66% | 95.50% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 93.52% | 98.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.50% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.63% | 93.56% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 90.47% | 89.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.39% | 93.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.90% | 99.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.74% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.66% | 97.21% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.50% | 96.67% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.02% | 87.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.60% | 94.73% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.32% | 82.69% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.77% | 93.18% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.76% | 97.29% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 83.36% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.34% | 90.71% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 83.24% | 88.42% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.20% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.15% | 97.14% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 82.29% | 96.28% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.61% | 95.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.48% | 82.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.04% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.38% | 96.47% |
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 | 162858932 |
| LOTUS | LTS0126327 |
| wikiData | Q105217104 |