4-(1,3-Benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-ol
| Internal ID | 17bbe3b7-cbd7-479c-817f-fac88f72d8f4 |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans > Dibenzylbutyrolactols |
| IUPAC Name | 4-(1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-ol |
| SMILES (Canonical) | COC1=CC(=CC2=C1OCO2)CC3C(COC3O)CC4=CC5=C(C=C4)OCO5 |
| SMILES (Isomeric) | COC1=CC(=CC2=C1OCO2)CC3C(COC3O)CC4=CC5=C(C=C4)OCO5 |
| InChI | InChI=1S/C21H22O7/c1-23-18-7-13(8-19-20(18)28-11-27-19)5-15-14(9-24-21(15)22)4-12-2-3-16-17(6-12)26-10-25-16/h2-3,6-8,14-15,21-22H,4-5,9-11H2,1H3 |
| InChI Key | OESUUVYVASHNOY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 4-(1,3-Benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/4-13-benzodioxol-5-ylmethyl-3-7-methoxy-13-benzodioxol-5-ylmethyloxolan-2-ol.jpg "2D Structure of 4-(1,3-Benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.14% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.90% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.75% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.95% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.14% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.00% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.49% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.72% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.45% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.21% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.44% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.11% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.08% | 97.14% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.79% | 85.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.15% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.98% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.47% | 94.00% |
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.
| Piper trichostachyon |
| PubChem | 14018788 |
| LOTUS | LTS0089117 |
| wikiData | Q105190529 |