5-Methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-7-prop-2-enyl-1-benzofuran-6-ol
| Internal ID | 1302726c-0320-4deb-98cf-b067d4a9e2d3 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-methoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-7-prop-2-enyl-1-benzofuran-6-ol |
| SMILES (Canonical) | CC1=C(OC2=C(C(=C(C=C12)OC)O)CC=C)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | CC1=C(OC2=C(C(=C(C=C12)OC)O)CC=C)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C21H20O6/c1-5-6-13-18(22)15(23-3)9-14-11(2)19(27-20(13)14)12-7-16(24-4)21-17(8-12)25-10-26-21/h5,7-9,22H,1,6,10H2,2-4H3 |
| InChI Key | KNDPYWIHPXGMGY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 70.30 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
| 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 | 99.08% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.41% | 92.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.19% | 95.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.97% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.40% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.61% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.18% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.51% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.20% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.50% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.93% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.87% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.62% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.28% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.89% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.30% | 99.17% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.26% | 83.57% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.76% | 98.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.98% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.66% | 97.21% |
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 taubertiana |
| PubChem | 162990364 |
| LOTUS | LTS0095849 |
| wikiData | Q104170437 |