3-[2,5-Dimethoxy-3-(3-methylbut-2-enoxy)phenyl]-5,7-dihydroxychromen-4-one
| Internal ID | f8530ae2-7a25-4357-b8de-805405198d52 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids > 3-O-methylisoflavones |
| IUPAC Name | 3-[2,5-dimethoxy-3-(3-methylbut-2-enoxy)phenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCOC1=CC(=CC(=C1OC)C2=COC3=CC(=CC(=C3C2=O)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCOC1=CC(=CC(=C1OC)C2=COC3=CC(=CC(=C3C2=O)O)O)OC)C |
| InChI | InChI=1S/C22H22O7/c1-12(2)5-6-28-19-10-14(26-3)9-15(22(19)27-4)16-11-29-18-8-13(23)7-17(24)20(18)21(16)25/h5,7-11,23-24H,6H2,1-4H3 |
| InChI Key | XXAVBKIAJPATJF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H22O7 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 3-[2,5-Dimethoxy-3-(3-methylbut-2-enoxy)phenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-25-dimethoxy-3-3-methylbut-2-enoxyphenyl-57-dihydroxychromen-4-one.jpg "2D Structure of 3-[2,5-Dimethoxy-3-(3-methylbut-2-enoxy)phenyl]-5,7-dihydroxychromen-4-one")
| 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 | 98.87% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.30% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.03% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.61% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.49% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.29% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.41% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.09% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.81% | 96.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.63% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.32% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.00% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.90% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.84% | 95.50% |
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.
| Millettia brandisiana |
| PubChem | 163068256 |
| LOTUS | LTS0256232 |
| wikiData | Q105343924 |