[5-(1,3-Benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4-dimethoxyphenyl)methanol
| Internal ID | 664ec5ca-f46f-4d78-9e08-2a8519728b63 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,9-epoxylignans |
| IUPAC Name | [5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4-dimethoxyphenyl)methanol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C(C2COC(C2CO)C3=CC4=C(C=C3)OCO4)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C(C2COC(C2CO)C3=CC4=C(C=C3)OCO4)O)OC |
| InChI | InChI=1S/C21H24O7/c1-24-16-5-3-12(7-18(16)25-2)20(23)15-10-26-21(14(15)9-22)13-4-6-17-19(8-13)28-11-27-17/h3-8,14-15,20-23H,9-11H2,1-2H3 |
| InChI Key | FJXKIGDEXMHOCZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [5-(1,3-Benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4-dimethoxyphenyl)methanol](https://plantaedb.com/storage/docs/compounds/2023/11/5-13-benzodioxol-5-yl-4-hydroxymethyloxolan-3-yl-34-dimethoxyphenylmethanol.jpg "2D Structure of [5-(1,3-Benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4-dimethoxyphenyl)methanol")
| 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 | 98.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.91% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.51% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.27% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.13% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.05% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.37% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.17% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.89% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.53% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.75% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 86.37% | 96.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.81% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.71% | 94.80% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.38% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.02% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.55% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.00% | 93.99% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.99% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.63% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.21% | 90.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.71% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 95.89% |
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 denudata |
| PubChem | 162937998 |
| LOTUS | LTS0155643 |
| wikiData | Q104996391 |