4-[1-(1,3-Benzodioxol-5-yl)propan-2-yl]-5-methoxy-2-prop-2-enylphenol
| Internal ID | 98660a07-4764-42e5-b9e6-7a30d6775944 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-5-methoxy-2-prop-2-enylphenol |
| SMILES (Canonical) | CC(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C(=C3)CC=C)O)OC |
| SMILES (Isomeric) | CC(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C(=C3)CC=C)O)OC |
| InChI | InChI=1S/C20H22O4/c1-4-5-15-10-16(19(22-3)11-17(15)21)13(2)8-14-6-7-18-20(9-14)24-12-23-18/h4,6-7,9-11,13,21H,1,5,8,12H2,2-3H3 |
| InChI Key | XWOKJVMBGVZLKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 4-[1-(1,3-Benzodioxol-5-yl)propan-2-yl]-5-methoxy-2-prop-2-enylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-1-13-benzodioxol-5-ylpropan-2-yl-5-methoxy-2-prop-2-enylphenol.jpg "2D Structure of 4-[1-(1,3-Benzodioxol-5-yl)propan-2-yl]-5-methoxy-2-prop-2-enylphenol")
| 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 | 98.57% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.45% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.34% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.70% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.46% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.90% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.21% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.62% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.49% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.64% | 89.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.16% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.05% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.04% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.62% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.38% | 90.20% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.35% | 99.09% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.15% | 85.49% |
| CHEMBL240 | Q12809 | HERG | 82.12% | 89.76% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.70% | 90.00% |
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.
| Aniba lancifolia |
| PubChem | 162996206 |
| LOTUS | LTS0165527 |
| wikiData | Q104201407 |