(2R,3R)-1-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol
| Internal ID | 75edbeb7-1f0a-4817-ad10-e50333d8a0b8 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | (2R,3R)-1-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)OC)OC)C(C)C(C2=CC3=C(C=C2)OCO3)O |
| SMILES (Isomeric) | C[C@H](CC1=CC(=C(C=C1)OC)OC)[C@@H](C)C(C2=CC3=C(C=C2)OCO3)O |
| InChI | InChI=1S/C21H26O5/c1-13(9-15-5-7-17(23-3)19(10-15)24-4)14(2)21(22)16-6-8-18-20(11-16)26-12-25-18/h5-8,10-11,13-14,21-22H,9,12H2,1-4H3/t13-,14-,21?/m1/s1 |
| InChI Key | NJZFDQRQCKAWQT-LYWAUEGTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.17% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.97% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.50% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.99% | 96.77% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 92.92% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.08% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.47% | 90.20% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.24% | 92.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.76% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.42% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.38% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.92% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.67% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.56% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.61% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.38% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.85% | 94.80% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 84.16% | 97.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.54% | 89.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.06% | 95.12% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 81.01% | 97.43% |
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.
| Magnolia ovata |
| PubChem | 102597487 |
| LOTUS | LTS0257136 |
| wikiData | Q105180401 |