2-[[2-[[2-[[2-[[4-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-2-(3,5-dihydroxyphenyl)acetic acid
| Internal ID | cc863ee9-f7e6-4897-be6e-85bb7c7ee123 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-2-(3,5-dihydroxyphenyl)acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H56Cl2N8O17/c1-22(2)15-34(55)46(72)61-42(44(70)25-7-13-36(67)32(53)18-25)50(76)57-35(21-38(56)69)47(73)58-39(23-3-9-28(63)10-4-23)48(74)59-40(24-5-11-29(64)12-6-24)49(75)62-43(45(71)26-8-14-37(68)33(54)19-26)51(77)60-41(52(78)79)27-16-30(65)20-31(66)17-27/h3-14,16-20,22,34-35,39-45,63-68,70-71H,15,21,55H2,1-2H3,(H2,56,69)(H,57,76)(H,58,73)(H,59,74)(H,60,77)(H,61,72)(H,62,75)(H,78,79) |
| InChI Key | CTVIPQVPCZDQGK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C52H56Cl2N8O17 |
| Molecular Weight | 1135.90 g/mol |
| Exact Mass | 1134.3140477 g/mol |
| Topological Polar Surface Area (TPSA) | 443.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of 2-[[2-[[2-[[2-[[4-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-2-(3,5-dihydroxyphenyl)acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/9afb32a0-85f2-11ee-b564-e13b7111af0b.jpg "2D Structure of 2-[[2-[[2-[[2-[[4-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-2-(3,5-dihydroxyphenyl)acetic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.28% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.28% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.21% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.94% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 97.44% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 96.10% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.14% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.00% | 90.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 93.58% | 97.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.35% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.20% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.88% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.13% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.10% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.65% | 93.10% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.47% | 99.35% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.38% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.96% | 98.35% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.65% | 85.00% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 85.69% | 97.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.02% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.19% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.04% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.75% | 89.50% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 82.67% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.44% | 90.20% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 82.40% | 92.80% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.02% | 94.00% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 81.56% | 94.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.44% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.74% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.25% | 95.93% |
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.
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| There are no matching plants. |
| PubChem | 59326342 |
| LOTUS | LTS0178970 |
| wikiData | Q104667871 |