5-[6,7-Dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzodioxole
| Internal ID | 6017569f-a4e9-44f5-9a23-65fff94ae043 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 5-[6,7-dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzodioxole |
| SMILES (Canonical) | COCC1CC2=CC(=C(C=C2C(C1COC)C3=CC4=C(C=C3)OCO4)OC)OC |
| SMILES (Isomeric) | COCC1CC2=CC(=C(C=C2C(C1COC)C3=CC4=C(C=C3)OCO4)OC)OC |
| InChI | InChI=1S/C23H28O6/c1-24-11-16-7-15-9-20(26-3)21(27-4)10-17(15)23(18(16)12-25-2)14-5-6-19-22(8-14)29-13-28-19/h5-6,8-10,16,18,23H,7,11-13H2,1-4H3 |
| InChI Key | WBJMMHMEDGPCCD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O6 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 5-[6,7-Dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-67-dimethoxy-23-bismethoxymethyl-1234-tetrahydronaphthalen-1-yl-13-benzodioxole.jpg "2D Structure of 5-[6,7-Dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzodioxole")
| 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% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.17% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.53% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.34% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.34% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.30% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.55% | 94.80% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.85% | 93.99% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.19% | 80.96% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.72% | 89.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.71% | 88.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.52% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.40% | 86.33% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.73% | 96.86% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.28% | 82.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.94% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.59% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.44% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.45% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.33% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.06% | 96.77% |
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.
| Phyllanthus urinaria |
| PubChem | 13989911 |
| LOTUS | LTS0142097 |
| wikiData | Q105300793 |