5-(7-Methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole
| Internal ID | 887de137-2207-4871-b8cf-d2d07585b720 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-(7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole |
| SMILES (Canonical) | CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3 |
| InChI Key | DMMQXURQRMNSBM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O4 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 4.60 |
| 5-(7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole |
| SCHEMBL16524679 |
| PD087656 |
| 5-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole |
| 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 | 96.31% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.15% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.63% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.05% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.79% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 92.57% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.05% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.98% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.16% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.96% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.45% | 82.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.64% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.66% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.47% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.17% | 89.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.96% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.43% | 94.73% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.31% | 97.31% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.31% | 88.48% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.52% | 96.77% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.05% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.62% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.36% | 98.75% |
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.
| Bicuiba oleifera |
| Eupomatia laurina |
| Iryanthera lancifolia |
| Machilus obovatifolia |
| Machilus thunbergii |
| Magnolia denudata |
| Magnolia kachirachirai |
| Myristica castaneifolia |
| Ocotea macrophylla |
| Ocotea porosa |
| PubChem | 3398496 |
| LOTUS | LTS0160106 |
| wikiData | Q104985200 |