Trichogin A IV
| Internal ID | aea9f220-fd47-445b-af64-16ae7f14bcec |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | N-[1-[[2-[[(2S)-1-[[1-[[2-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H95N11O12/c1-16-18-19-20-21-22-38(65)61-50(10,11)47(73)55-28-41(68)59-37(25-33(7)8)45(71)62-51(12,13)48(74)54-26-39(66)53-27-40(67)58-36(24-32(5)6)44(70)63-52(14,15)49(75)56-29-42(69)60-43(34(9)17-2)46(72)57-35(30-64)23-31(3)4/h31-37,43,64H,16-30H2,1-15H3,(H,53,66)(H,54,74)(H,55,73)(H,56,75)(H,57,72)(H,58,67)(H,59,68)(H,60,69)(H,61,65)(H,62,71)(H,63,70)/t34-,35-,36-,37-,43-/m0/s1 |
| InChI Key | LZAAXJCEERCDPT-CKFFZNTQSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C52H95N11O12 |
| Molecular Weight | 1066.40 g/mol |
| Exact Mass | 1065.71616751 g/mol |
| Topological Polar Surface Area (TPSA) | 340.00 Ų |
| XlogP | 4.00 |
| 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 | 99.87% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.65% | 96.61% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.41% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.09% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.05% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.92% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.83% | 96.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.92% | 98.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.62% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.83% | 97.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.26% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.04% | 92.08% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 91.76% | 97.23% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 91.50% | 98.94% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.25% | 99.35% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 91.13% | 85.40% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 90.95% | 86.67% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.92% | 100.00% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 90.47% | 96.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.96% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.84% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.64% | 95.71% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 89.63% | 89.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.79% | 92.86% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.62% | 90.24% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 87.87% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.56% | 96.90% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.43% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.86% | 98.33% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.79% | 87.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.70% | 96.47% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.62% | 91.81% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.58% | 92.29% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 86.01% | 94.05% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.62% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.27% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.27% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.05% | 97.79% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.42% | 85.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.34% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.25% | 97.14% |
| CHEMBL3468 | P55210 | Caspase-7 | 83.96% | 95.68% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 83.87% | 98.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.79% | 91.24% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 82.85% | 93.85% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 82.76% | 97.78% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.54% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.53% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.52% | 91.11% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.53% | 95.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 81.00% | 97.06% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.88% | 94.73% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.06% | 96.00% |
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 | 15886478 |
| LOTUS | LTS0185753 |
| wikiData | Q77373021 |