2-Methoxy-4-[7-methoxy-3-(3-methylbutoxy)-5-[3-(3-methylbutoxy)prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
| Internal ID | c4b76041-97d7-4525-98de-2ca92ddd71c8 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-methoxy-4-[7-methoxy-3-(3-methylbutoxy)-5-[3-(3-methylbutoxy)prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol |
| SMILES (Canonical) | CC(C)CCOCC=CC1=CC2=C(C(=C1)OC)OC(C2OCCC(C)C)C3=CC(=C(C=C3)O)OC |
| SMILES (Isomeric) | CC(C)CCOCC=CC1=CC2=C(C(=C1)OC)OC(C2OCCC(C)C)C3=CC(=C(C=C3)O)OC |
| InChI | InChI=1S/C29H40O6/c1-19(2)11-14-33-13-7-8-21-16-23-28(26(17-21)32-6)35-27(29(23)34-15-12-20(3)4)22-9-10-24(30)25(18-22)31-5/h7-10,16-20,27,29-30H,11-15H2,1-6H3 |
| InChI Key | BWSBORINMLRUII-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O6 |
| Molecular Weight | 484.60 g/mol |
| Exact Mass | 484.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 2-Methoxy-4-[7-methoxy-3-(3-methylbutoxy)-5-[3-(3-methylbutoxy)prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/11db0800-8719-11ee-bd4b-bbe37c9193b0.jpg "2D Structure of 2-Methoxy-4-[7-methoxy-3-(3-methylbutoxy)-5-[3-(3-methylbutoxy)prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol")
| 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 | 98.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.85% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.55% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.14% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.17% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.33% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.00% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.95% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.90% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.38% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.18% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.76% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.46% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.93% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.69% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.53% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.18% | 86.92% |
| CHEMBL3194 | P02766 | Transthyretin | 82.99% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.37% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.39% | 93.56% |
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.
| Ursinia abrotanifolia |
| PubChem | 162866758 |
| LOTUS | LTS0177204 |
| wikiData | Q104947602 |