(1R,2S,3R)-1,4-bis(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol
| Internal ID | 84026887-3b2d-43fa-a877-18836ab1bf56 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | (1R,2S,3R)-1,4-bis(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)OC)OC)C(C)C(C2=CC(=C(C=C2)OC)OC)O |
| SMILES (Isomeric) | C[C@H](CC1=CC(=C(C=C1)OC)OC)[C@H](C)[C@H](C2=CC(=C(C=C2)OC)OC)O |
| InChI | InChI=1S/C22H30O5/c1-14(11-16-7-9-18(24-3)20(12-16)26-5)15(2)22(23)17-8-10-19(25-4)21(13-17)27-6/h7-10,12-15,22-23H,11H2,1-6H3/t14-,15+,22-/m1/s1 |
| InChI Key | JHEXMPZEYDIRNZ-ZCCHDVMBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O5 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.44% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.55% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.65% | 90.20% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 94.37% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.46% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.20% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.07% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.49% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.17% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.15% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.04% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.22% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.30% | 92.68% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.58% | 89.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.54% | 89.62% |
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.
| Bicuiba oleifera |
| PubChem | 15386364 |
| LOTUS | LTS0180877 |
| wikiData | Q105127934 |