3-[[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-2-(2-phenylethyl)isoindol-1-one
| Internal ID | 0b951912-6bbf-45fb-bc32-51faa0911676 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-2-(2-phenylethyl)isoindol-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H34N2O6/c1-31(2)14-13-21-16-25-26(38-19-37-25)17-22(21)18-30(34)23-10-11-24(35-3)28(36-4)27(23)29(33)32(30)15-12-20-8-6-5-7-9-20/h5-11,16-17,34H,12-15,18-19H2,1-4H3 |
| InChI Key | HFYGXQFCFQNRAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34N2O6 |
| Molecular Weight | 518.60 g/mol |
| Exact Mass | 518.24168681 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 3-[[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-2-(2-phenylethyl)isoindol-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/42aeb6b0-87db-11ee-acd6-6f92692a269a.jpg "2D Structure of 3-[[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methyl]-3-hydroxy-6,7-dimethoxy-2-(2-phenylethyl)isoindol-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.64% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.30% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.09% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.98% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.18% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.34% | 90.00% |
| CHEMBL240 | Q12809 | HERG | 91.48% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.38% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.10% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.22% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.15% | 95.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.03% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.86% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.69% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.37% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.01% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.99% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.19% | 82.38% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.46% | 90.20% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.20% | 97.14% |
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.
| Fumaria densiflora |
| PubChem | 162904636 |
| LOTUS | LTS0092178 |
| wikiData | Q105027631 |