4,12-Dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione
| Internal ID | 1f8bfdc4-ca1f-42fe-bcec-b36d78765e6f |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H25NO4/c1-9(2)12-16(23)17(24)14-15-13-11(18(25)21-15)10(22)5-6-19(13,3)7-8-20(12,14)4/h9-10,22-23H,5-8H2,1-4H3,(H,21,25) |
| InChI Key | FWKOMHSJYZOWQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 4,12-Dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4bd91a80-86fa-11ee-9b2f-11eab280014d.jpg "2D Structure of 4,12-Dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.56% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.58% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.35% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.50% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.12% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.91% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.65% | 91.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.49% | 92.88% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.41% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.92% | 93.03% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.43% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.94% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.80% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.84% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.70% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.62% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.50% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.45% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.69% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.02% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.79% | 96.47% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.03% | 88.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.71% | 91.07% |
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.
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| There are no matching plants. |
| PubChem | 162902333 |
| LOTUS | LTS0220622 |
| wikiData | Q104166847 |