7(8)-dihydroisojusticidin B
| Internal ID | 7c35278e-ac7a-4a56-9068-f382ce7bae1d |
| Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
| IUPAC Name | 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H18O6/c1-23-15-6-4-11-7-13-9-25-21(22)19(13)17(18(11)20(15)24-2)12-3-5-14-16(8-12)27-10-26-14/h3-6,8,13H,7,9-10H2,1-2H3 |
| InChI Key | CZEUIACCFFFCLU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H18O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.96% | 94.45% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 95.62% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.62% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 93.62% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.15% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.89% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.64% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.37% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.59% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.99% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.88% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.54% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.17% | 96.77% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.63% | 96.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.37% | 94.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.51% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.20% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.09% | 99.17% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.68% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.55% | 98.75% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.26% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.44% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.26% | 97.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.63% | 82.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.59% | 96.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.35% | 92.98% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.30% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.04% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.01% | 93.40% |
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.
| Linum perenne |
| PubChem | 134820205 |
| LOTUS | LTS0195736 |
| wikiData | Q104972748 |