Kusunokinol
| Internal ID | e347deb3-96b1-4c07-8c55-103bbfd83afb |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactols |
| IUPAC Name | 3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2COC(C2CC3=CC(=C(C=C3)OC)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CC2COC(C2CC3=CC(=C(C=C3)OC)OC)O)OC |
| InChI | InChI=1S/C22H28O6/c1-24-18-7-5-14(11-20(18)26-3)9-16-13-28-22(23)17(16)10-15-6-8-19(25-2)21(12-15)27-4/h5-8,11-12,16-17,22-23H,9-10,13H2,1-4H3 |
| InChI Key | YSJWRVMJZYIPHE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 3.60 |
| CHEMBL514686 |
| 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 | 97.95% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.41% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.03% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.86% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.35% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.99% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.93% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.72% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.37% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.33% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.89% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.40% | 94.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.82% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.17% | 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.
| Hernandia nymphaeifolia |
| Peperomia vulcanica |
| Virola venosa |
| PubChem | 14216594 |
| LOTUS | LTS0140793 |
| wikiData | Q104398829 |