5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
| Internal ID | ed1d6bb1-9237-41fc-8dee-83faf93518a6 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 5-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)OC)O)C(C)CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | CC(CC1=CC(=C(C=C1)OC)O)C(C)CC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C20H24O4/c1-13(8-15-4-6-18(22-3)17(21)10-15)14(2)9-16-5-7-19-20(11-16)24-12-23-19/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3 |
| InChI Key | OLMIQOIPLQDJFU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/5-4-13-benzodioxol-5-yl-23-dimethylbutyl-2-methoxyphenol.jpg "2D Structure of 5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol")
| 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 | 97.51% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.66% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.36% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.20% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 92.57% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.48% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.84% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.40% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.98% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.63% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.51% | 98.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.05% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.93% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.02% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.46% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.68% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.68% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.53% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.18% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.80% | 95.50% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.25% | 96.09% |
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.
| Hornstedtia reticulata |
| Schisandra henryi |
| PubChem | 15658444 |
| LOTUS | LTS0250976 |
| wikiData | Q105194026 |