dimethyl (2Z,3Z)-2,3-bis(1,3-benzodioxol-4-ylmethylidene)butanedioate
| Internal ID | 912ae32d-6da2-4980-99c7-d5c89292b363 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | dimethyl (2Z,3Z)-2,3-bis(1,3-benzodioxol-4-ylmethylidene)butanedioate |
| SMILES (Canonical) | COC(=O)C(=CC1=C2C(=CC=C1)OCO2)C(=CC3=C4C(=CC=C3)OCO4)C(=O)OC |
| SMILES (Isomeric) | COC(=O)/C(=C\C1=C2OCOC2=CC=C1)/C(=C/C3=C4OCOC4=CC=C3)/C(=O)OC |
| InChI | InChI=1S/C22H18O8/c1-25-21(23)15(9-13-5-3-7-17-19(13)29-11-27-17)16(22(24)26-2)10-14-6-4-8-18-20(14)30-12-28-18/h3-10H,11-12H2,1-2H3/b15-9-,16-10- |
| InChI Key | BIPRVNYVSXFTMA-VULZFCBJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H18O8 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.91% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.77% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.31% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.70% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.21% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.38% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.33% | 86.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.56% | 85.30% |
| CHEMBL5028 | O14672 | ADAM10 | 80.97% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.01% | 99.23% |
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.
| Jatropha gossypiifolia |
| PubChem | 100968181 |
| LOTUS | LTS0163679 |
| wikiData | Q104936700 |