(2R,3R)-2,3-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol
| Internal ID | e52b4541-ea94-4d3e-93b2-0ba5fdd7201d |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans > Dibenzylbutanediol lignans |
| IUPAC Name | (2R,3R)-2,3-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol |
| SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)CC(CO)C(CC3=CC4=C(C(=C3)OC)OCO4)CO |
| SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)C[C@@H](CO)[C@@H](CC3=CC4=C(C(=C3)OC)OCO4)CO |
| InChI | InChI=1S/C22H26O8/c1-25-17-5-13(7-19-21(17)29-11-27-19)3-15(9-23)16(10-24)4-14-6-18(26-2)22-20(8-14)28-12-30-22/h5-8,15-16,23-24H,3-4,9-12H2,1-2H3/t15-,16-/m0/s1 |
| InChI Key | FPHAWPUGHVPMPC-HOTGVXAUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 95.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2,3-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r-23-bis7-methoxy-13-benzodioxol-5-ylmethylbutane-14-diol.jpg "2D Structure of (2R,3R)-2,3-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol")
| 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 | 97.31% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.18% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.98% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.43% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.52% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.76% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.98% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.48% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.28% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.65% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.48% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.19% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.09% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.06% | 82.67% |
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.
| Peperomia heyneana |
| PubChem | 11582466 |
| LOTUS | LTS0183001 |
| wikiData | Q104999188 |