Trichocyclodipeptide B
| Internal ID | d8d5319a-2371-43de-b0b2-35af5494b4dd |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids |
| IUPAC Name | [5-[3-[(2S,5S)-5-[3-[(5-hydroxy-3-methylpent-2-enoyl)amino]propyl]-3,6-dioxopiperazin-2-yl]propylamino]-3-methyl-5-oxopent-3-enyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H38N4O7/c1-16(8-12-29)14-21(31)25-10-4-6-19-23(33)28-20(24(34)27-19)7-5-11-26-22(32)15-17(2)9-13-35-18(3)30/h14-15,19-20,29H,4-13H2,1-3H3,(H,25,31)(H,26,32)(H,27,34)(H,28,33)/t19-,20-/m0/s1 |
| InChI Key | RZPDQEPMHAHTJR-PMACEKPBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H38N4O7 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.27404956 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 0.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.50% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.80% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.51% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.05% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.52% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.43% | 97.25% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.03% | 89.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.39% | 96.90% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.90% | 91.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.80% | 97.29% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.50% | 98.59% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.25% | 92.97% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.97% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.66% | 90.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.81% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.81% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.77% | 94.73% |
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 | 139589450 |
| LOTUS | LTS0098060 |
| wikiData | Q105248510 |