5-Allyl-5,7-dimethoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-1-benzofuran-6(2H)-one
| Internal ID | 61d7990b-93a7-4159-a414-8c3a57641680 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 5,7-dimethoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one |
| SMILES (Canonical) | CC1C(OC2=C(C(=O)C(C=C12)(CC=C)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC |
| SMILES (Isomeric) | CC1C(OC2=C(C(=O)C(C=C12)(CC=C)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC |
| InChI | InChI=1S/C23H28O7/c1-8-9-23(29-7)12-15-13(2)18(30-19(15)21(28-6)22(23)24)14-10-16(25-3)20(27-5)17(11-14)26-4/h8,10-13,18H,1,9H2,2-7H3 |
| InChI Key | LSGHMLLFSPCSIR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 3.20 |
| 5-Allyl-5,7-dimethoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-1-benzofuran-6(2H)-one # |
| 6(2H)-Benzofuranone, 3,5-dihydro-5,7-dimethoxy-3-methyl-5-(2-propenyl)-2-(3,4,5-trimethoxyphenyl)-, [2S-(2.alpha.,3.beta.,5.beta.)]- |
| 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 |
|---|---|---|---|---|
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 95.85% | 92.98% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.07% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.25% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.23% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.07% | 82.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.48% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.72% | 91.07% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.38% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.06% | 94.80% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.53% | 86.92% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.84% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.45% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.92% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.80% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.23% | 98.95% |
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 | 576636 |
| LOTUS | LTS0107613 |
| wikiData | Q104171272 |