6-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,3-dihydro-1,4-benzodioxine
| Internal ID | 84dcfa1a-886c-4cff-abae-0dc232e81c6a |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 7,7-epoxylignans |
| IUPAC Name | 6-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,3-dihydro-1,4-benzodioxine |
| SMILES (Canonical) | CC1C(C(OC1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C=C4)OC)OC)C |
| SMILES (Isomeric) | C[C@@H]1[C@H]([C@H](O[C@H]1C2=CC3=C(C=C2)OCCO3)C4=CC(=C(C=C4)OC)OC)C |
| InChI | InChI=1S/C22H26O5/c1-13-14(2)22(16-6-8-18-20(12-16)26-10-9-25-18)27-21(13)15-5-7-17(23-3)19(11-15)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-,21+,22-/m1/s1 |
| InChI Key | BBSVRRFIUUMCCG-JZCAMDEDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H26O5 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 6-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,3-dihydro-1,4-benzodioxine](https://plantaedb.com/storage/docs/compounds/2023/11/6-2r3r4r5s-5-34-dimethoxyphenyl-34-dimethyloxolan-2-yl-23-dihydro-14-benzodioxine.jpg "2D Structure of 6-[(2R,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,3-dihydro-1,4-benzodioxine")
| 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 | 97.32% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.24% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.64% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.72% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.62% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.20% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.84% | 94.80% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.71% | 92.94% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.78% | 96.86% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.92% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.79% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.42% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.35% | 93.99% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.90% | 88.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.78% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.04% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.74% | 98.75% |
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.
| Schisandra lancifolia |
| PubChem | 162941534 |
| LOTUS | LTS0088787 |
| wikiData | Q104923034 |