Zyzzyanone B
| Internal ID | 8fed1f95-dea7-43f9-9a91-6ab894958ad0 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 3-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-1,7-dihydropyrrolo[3,2-f]indole-4,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H17N3O3/c1-20-7-6-11-8-21-16-14(11)18(24)15-13(9-22-17(15)19(16)25)10-2-4-12(23)5-3-10/h2-5,8-9,20-23H,6-7H2,1H3 |
| InChI Key | MVUIVMXYMJJTCM-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H17N3O3 |
| Molecular Weight | 335.40 g/mol |
| Exact Mass | 335.12699141 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.20 |
| 3-(4-hydroxyphenyl)-5-(2-(methylamino)ethyl)-1,7-dihydropyrrolo(3,2-f)indole-4,8-dione |
| 3-(4-hydroxyphenyl)-5-[2-(methylamino)ethyl]-1,7-dihydropyrrolo[3,2-f]indole-4,8-dione |
| 2-(3-(4-hydroxyphenyl)-4,8-dioxo-1,7-dihydropyrrolo(3,2-f)indol-5-yl)ethyl-methylazanium |
| RefChem:196309 |
| 866363-59-9 |
| CHEMBL1162275 |
| 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 | 98.55% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.96% | 98.59% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.31% | 98.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.17% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.69% | 91.11% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.27% | 91.38% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.14% | 95.64% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.60% | 91.79% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.03% | 92.88% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 86.38% | 97.03% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.03% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.62% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.72% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.57% | 94.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.38% | 95.83% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.34% | 94.73% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.06% | 83.10% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.21% | 95.17% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 82.13% | 95.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.10% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.89% | 94.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.85% | 97.28% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.78% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.75% | 94.75% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 81.16% | 81.58% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.49% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 11493734 |
| LOTUS | LTS0041633 |
| wikiData | Q105173317 |