2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-methoxy-4-propylphenol
| Internal ID | 4d85a65b-b562-4684-a6a9-e7eef27d6a1a |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-methoxy-4-propylphenol |
| SMILES (Canonical) | CCCC1=CC(=C(C(=C1)OC)O)C(C)CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | CCCC1=CC(=C(C(=C1)OC)O)[C@H](C)CC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C20H24O4/c1-4-5-14-9-16(20(21)19(11-14)22-3)13(2)8-15-6-7-17-18(10-15)24-12-23-17/h6-7,9-11,13,21H,4-5,8,12H2,1-3H3/t13-/m1/s1 |
| InChI Key | CCDWCXQYAILFKD-CYBMUJFWSA-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 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-methoxy-4-propylphenol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r-1-13-benzodioxol-5-ylpropan-2-yl-6-methoxy-4-propylphenol.jpg "2D Structure of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-methoxy-4-propylphenol")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.29% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.93% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.11% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 96.31% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.82% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.99% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.29% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.97% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.30% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.82% | 92.68% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.37% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.29% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.61% | 95.17% |
| CHEMBL240 | Q12809 | HERG | 85.02% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.86% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.44% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.27% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.64% | 96.61% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.33% | 95.34% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.84% | 89.50% |
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.
| Aniba lancifolia |
| PubChem | 162822094 |
| LOTUS | LTS0097682 |
| wikiData | Q104953186 |