Cyclopiamide B
| Internal ID | ab7547ff-2568-44b4-8970-cdaee44e19ba |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 3-(5,5,13-trimethyl-3,14-dioxo-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaen-4-yl)butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20N2O4/c1-10(8-14(23)24)22-19(26)16-12(20(22,2)3)9-11-6-5-7-13-15(11)17(16)18(25)21(13)4/h5-7,9-10H,8H2,1-4H3,(H,23,24) |
| InChI Key | RFCUQENFPAOEMH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20N2O4 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.14230712 g/mol |
| Topological Polar Surface Area (TPSA) | 77.90 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.65% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.19% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.75% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.30% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 89.26% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.54% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.25% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.92% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.25% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.26% | 82.69% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.84% | 85.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.29% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.02% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.93% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.71% | 95.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.34% | 100.00% |
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 | 122218852 |
| LOTUS | LTS0059361 |
| wikiData | Q75059044 |