5-(3,4-Dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
| Internal ID | f300a27b-6ffe-4b51-a7c6-8caed6990a79 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole |
| SMILES (Canonical) | COCC1CC2=CC3=C(C=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OCO3 |
| SMILES (Isomeric) | COCC1CC2=CC3=C(C=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OCO3 |
| InChI | InChI=1S/C23H28O6/c1-24-11-16-7-15-9-21-22(29-13-28-21)10-17(15)23(18(16)12-25-2)14-5-6-19(26-3)20(8-14)27-4/h5-6,8-10,16,18,23H,7,11-13H2,1-4H3 |
| InChI Key | MMIPPOIFVHVHAK-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-(3,4-Dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-34-dimethoxyphenyl-67-bismethoxymethyl-5678-tetrahydrobenzof13benzodioxole.jpg "2D Structure of 5-(3,4-Dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][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 | 97.86% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.90% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.48% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.15% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.85% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.69% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.54% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.41% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.08% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.57% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.28% | 92.94% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.34% | 82.67% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.75% | 96.86% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.90% | 88.48% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.60% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.41% | 95.89% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.20% | 80.96% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.99% | 94.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.71% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.46% | 98.75% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 80.39% | 97.43% |
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 niruri |
| Phyllanthus urinaria |
| Phyllanthus virgatus |
| PubChem | 137796378 |
| LOTUS | LTS0273107 |
| wikiData | Q105167781 |