(3Z)-3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one
| Internal ID | a9b0772d-ea06-474d-8846-2c990c6460f7 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (3Z)-3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one |
| SMILES (Canonical) | CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2 |
| SMILES (Isomeric) | CN(C)CCC1=CC2=C(C=C1/C=C\3/C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2 |
| InChI | InChI=1S/C22H24N2O5/c1-24(2)8-7-13-10-18-19(29-12-28-18)11-14(13)9-16-15-5-6-17(26-3)21(27-4)20(15)22(25)23-16/h5-6,9-11H,7-8,12H2,1-4H3,(H,23,25)/b16-9- |
| InChI Key | ZMAHFZSTFDAVRW-SXGWCWSVSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C22H24N2O5 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 69.30 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (3Z)-3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3z-3-6-2-dimethylaminoethyl-13-benzodioxol-5-ylmethylidene-67-dimethoxyisoindol-1-one.jpg "2D Structure of (3Z)-3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one")
| 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 | 97.64% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 97.01% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.71% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.63% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.51% | 96.77% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 95.43% | 80.96% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.42% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.25% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.36% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.39% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.86% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.69% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.21% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.95% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.70% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.46% | 93.40% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.66% | 92.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.48% | 97.28% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.18% | 96.21% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.66% | 96.67% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.52% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.23% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.01% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.49% | 94.73% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.91% | 85.49% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.94% | 94.80% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.46% | 82.67% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.42% | 93.24% |
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.
| Dactylicapnos torulosa |
| Fumaria densiflora |
| Fumaria parviflora |
| Fumaria vaillantii |
| PubChem | 6537302 |
| LOTUS | LTS0080702 |
| wikiData | Q104394380 |