Cleistanone(rac)
| Internal ID | 7ac72fc3-d3ff-4a3b-adbf-2f5d2f313807 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 9-(1,3-benzodioxol-5-yl)-4-hydroxy-3,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one |
| SMILES (Canonical) | COC1C2=C(C3=CC(=C(C=C3C(=C2C(=O)O1)C4=CC5=C(C=C4)OCO5)OC)OC)O |
| SMILES (Isomeric) | COC1C2=C(C3=CC(=C(C=C3C(=C2C(=O)O1)C4=CC5=C(C=C4)OCO5)OC)OC)O |
| InChI | InChI=1S/C22H18O8/c1-25-14-7-11-12(8-15(14)26-2)20(23)19-18(21(24)30-22(19)27-3)17(11)10-4-5-13-16(6-10)29-9-28-13/h4-8,22-23H,9H2,1-3H3 |
| InChI Key | XURLTFUKDPZAPN-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H18O8 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 3.60 |
| CHEBI:65641 |
| Q27134112 |
| 9-(1,3-benzodioxol-5-yl)-4-hydroxy-3,6,7-trimethoxy-3H-benzo[f][2]benzofuran-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 | 98.89% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.18% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.65% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.44% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.32% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.31% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.82% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.74% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.54% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.18% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.91% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.17% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.62% | 94.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.50% | 88.48% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.49% | 82.67% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.06% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.40% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.39% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.05% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.00% | 93.99% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.96% | 92.38% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.44% | 80.96% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.36% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.17% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.08% | 95.78% |
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.
| Cleistanthus collinus |
| PubChem | 10409277 |
| LOTUS | LTS0073381 |
| wikiData | Q27134112 |