Chrysopiperazine B
| Internal ID | 47b3bd24-86e6-4e7d-ac07-4aea1fe44534 |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Pyrimidones |
| IUPAC Name | (4S,7R)-4-[(2S)-butan-2-yl]-4,12-dimethoxy-7-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione |
| SMILES (Canonical) | CCC(C)C1(C2=NC3=C(C=C(C=CO3)OC)C(=O)N2C(C(=O)N1)C(C)C)OC |
| SMILES (Isomeric) | CC[C@H](C)[C@@]1(C2=NC3=C(C=C(C=CO3)OC)C(=O)N2[C@@H](C(=O)N1)C(C)C)OC |
| InChI | InChI=1S/C20H27N3O5/c1-7-12(4)20(27-6)19-21-17-14(10-13(26-5)8-9-28-17)18(25)23(19)15(11(2)3)16(24)22-20/h8-12,15H,7H2,1-6H3,(H,22,24)/t12-,15+,20-/m0/s1 |
| InChI Key | QAGOKKIRIONYAD-VHPWJVAPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H27N3O5 |
| Molecular Weight | 389.40 g/mol |
| Exact Mass | 389.19507097 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 2.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.47% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.21% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.37% | 94.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.59% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.18% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.61% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.38% | 98.59% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.96% | 93.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.17% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.08% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.79% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.10% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.41% | 97.09% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.91% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.29% | 96.67% |
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 | 146682961 |
| LOTUS | LTS0130452 |
| wikiData | Q105217385 |