H-DL-nTyr-DL-Phg(3,5-diOH)-Val-DL-Phg(3,5-diOH)-DL-nTyr-DL-Phg(3,5-diOH)-DL-nTyr-DL-Phg(3,5-diOH)-Val-DL-Phg(3,5-diOH)-DL-nTyr-Phe-Asp-OH
| Internal ID | c737a232-2703-492d-8b55-f5d5cf6bad23 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]butanedioic acid |
| SMILES (Canonical) | CC(C)C(C(=O)NC(C1=CC(=CC(=C1)O)O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC(C3=CC(=CC(=C3)O)O)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC(C5=CC(=CC(=C5)O)O)C(=O)NC(C(C)C)C(=O)NC(C6=CC(=CC(=C6)O)O)C(=O)NC(C7=CC=C(C=C7)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(C9=CC(=CC(=C9)O)O)NC(=O)C(C1=CC=C(C=C1)O)N |
| SMILES (Isomeric) | CC(C)[C@@H](C(=O)NC(C1=CC(=CC(=C1)O)O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC(C3=CC(=CC(=C3)O)O)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC(C5=CC(=CC(=C5)O)O)C(=O)N[C@@H](C(C)C)C(=O)NC(C6=CC(=CC(=C6)O)O)C(=O)NC(C7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C(C9=CC(=CC(=C9)O)O)NC(=O)C(C1=CC=C(C=C1)O)N |
| InChI | InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138)/t69-,70-,72?,73-,74-,75?,76?,77?,78?,79?,80?,81?,82?/m0/s1 |
| InChI Key | QJQKBRUTBCTBKE-GDLMMHCQSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C95H97N13O30 |
| Molecular Weight | 1900.90 g/mol |
| Exact Mass | 1900.6497836 g/mol |
| Topological Polar Surface Area (TPSA) | 733.00 Ų |
| XlogP | 3.30 |
| 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 | 99.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.17% | 93.67% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.94% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.52% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.20% | 90.20% |
| CHEMBL4422 | O14842 | Free fatty acid receptor 1 | 94.18% | 93.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.67% | 99.15% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.51% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.42% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.91% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.65% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.32% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.54% | 95.93% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.15% | 99.35% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.06% | 98.75% |
| CHEMBL3468 | P55210 | Caspase-7 | 87.83% | 95.68% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.08% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.06% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.90% | 94.45% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 85.86% | 92.80% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.74% | 97.06% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.64% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.16% | 90.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.73% | 93.31% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.63% | 98.33% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.94% | 94.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.86% | 93.00% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 80.76% | 98.75% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.37% | 89.33% |
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.
| There are no matching plants. |
| PubChem | 16130418 |
| LOTUS | LTS0221372 |
| wikiData | Q105222820 |