(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
| Internal ID | 9f56fa97-871c-4f34-852a-3e47e4831471 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids |
| IUPAC Name | (5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl) (E)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1=C2C(=C(C(=C1O)OC)O)C(=O)C(=C(O2)C3=CC=CC=C3)OC |
| SMILES (Isomeric) | C/C=C(\C)/C(=O)OC1=C2C(=C(C(=C1O)OC)O)C(=O)C(=C(O2)C3=CC=CC=C3)OC |
| InChI | InChI=1S/C22H20O8/c1-5-11(2)22(26)30-21-16(25)19(27-3)14(23)13-15(24)20(28-4)17(29-18(13)21)12-9-7-6-8-10-12/h5-10,23,25H,1-4H3/b11-5+ |
| InChI Key | ODAKJIXAIBHVIC-VZUCSPMQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H20O8 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 4.10 |
| CHEBI:185745 |
| LMPK12113291 |
| (5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl) (E)-2-methylbut-2-enoate |
| 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 | 99.25% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.63% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.60% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.33% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.26% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.79% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.78% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.60% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.92% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.65% | 99.17% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 82.10% | 89.49% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.70% | 81.11% |
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.
| Pseudognaphalium cheiranthifolium |
| PubChem | 10811599 |
| LOTUS | LTS0163468 |
| wikiData | Q76416008 |