3-[2-(4-Methoxyphenyl)-4-oxo-5,7-dihydroxy-4H-1-benzopyran-8-yl]-4-methoxybenzoic acid
| Internal ID | ba024610-e763-4d23-935d-81882f427d43 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids |
| IUPAC Name | 3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-4-methoxybenzoic acid |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C(=O)O)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C(=O)O)OC |
| InChI | InChI=1S/C24H18O8/c1-30-14-6-3-12(4-7-14)20-11-18(27)22-17(26)10-16(25)21(23(22)32-20)15-9-13(24(28)29)5-8-19(15)31-2/h3-11,25-26H,1-2H3,(H,28,29) |
| InChI Key | ZCKYJHDZQINADF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H18O8 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 4.10 |
| 3-[2-(4-Methoxyphenyl)-4-oxo-5,7-dihydroxy-4H-1-benzopyran-8-yl]-4-methoxybenzoic acid |
![2D Structure of 3-[2-(4-Methoxyphenyl)-4-oxo-5,7-dihydroxy-4H-1-benzopyran-8-yl]-4-methoxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/07/3-2-4-methoxyphenyl-4-oxo-57-dihydroxy-4h-1-benzopyran-8-yl-4-methoxybenzoic-acid.jpg "2D Structure of 3-[2-(4-Methoxyphenyl)-4-oxo-5,7-dihydroxy-4H-1-benzopyran-8-yl]-4-methoxybenzoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 97.83% | 90.71% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 97.65% | 89.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.45% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.96% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.62% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.34% | 87.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.47% | 99.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.95% | 81.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.07% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.85% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.84% | 98.95% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 91.80% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.12% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.64% | 90.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.28% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.98% | 99.15% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.29% | 93.31% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.74% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.64% | 91.19% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.10% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.90% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.70% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.64% | 90.20% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.95% | 94.42% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.51% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.47% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.77% | 95.12% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.08% | 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.
| Ginkgo biloba |
| PubChem | 91602664 |
| NPASS | NPC116190 |
| LOTUS | LTS0143265 |
| wikiData | Q105371226 |