4-[4-(1,3-Benzodioxol-5-yl)-1-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol
| Internal ID | 79cfda67-28e2-4a97-811c-27871b019f88 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 4-[4-(1,3-benzodioxol-5-yl)-1-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol |
| SMILES (Canonical) | CC(CC1=CC2=C(C=C1)OCO2)C(C)C(C3=CC(=C(C=C3)O)OC)O |
| SMILES (Isomeric) | CC(CC1=CC2=C(C=C1)OCO2)C(C)C(C3=CC(=C(C=C3)O)OC)O |
| InChI | InChI=1S/C20H24O5/c1-12(8-14-4-7-17-19(9-14)25-11-24-17)13(2)20(22)15-5-6-16(21)18(10-15)23-3/h4-7,9-10,12-13,20-22H,8,11H2,1-3H3 |
| InChI Key | GSIZVLCQLAZSSP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4-[4-(1,3-Benzodioxol-5-yl)-1-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-13-benzodioxol-5-yl-1-hydroxy-23-dimethylbutyl-2-methoxyphenol.jpg "2D Structure of 4-[4-(1,3-Benzodioxol-5-yl)-1-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.75% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.73% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.25% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.09% | 96.77% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 96.25% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.17% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.56% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.36% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.90% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.71% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.69% | 98.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.46% | 94.80% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.02% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.45% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.78% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.72% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.06% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.08% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.38% | 94.00% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 82.26% | 93.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.60% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.43% | 95.50% |
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.
| Myristica argentea |
| Myristica fragrans |
| PubChem | 14104177 |
| LOTUS | LTS0242219 |
| wikiData | Q105017201 |