3-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxychromen-4-one
| Internal ID | ee24de86-bbbf-405a-a3e7-a45fee9559d3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones |
| IUPAC Name | 3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O6/c1-11(2)4-5-12-6-14(17(23)9-16(12)22)15-10-27-19-8-13(26-3)7-18(24)20(19)21(15)25/h4,6-10,22-24H,5H2,1-3H3 |
| InChI Key | FDGOXOKMOFWQKA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 3-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-24-dihydroxy-5-3-methylbut-2-enylphenyl-5-hydroxy-7-methoxychromen-4-one.jpg "2D Structure of 3-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxychromen-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 | 99.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.55% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.68% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.83% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.70% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.38% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.88% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.02% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.79% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.79% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.03% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.65% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.07% | 96.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.41% | 97.28% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.76% | 96.12% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
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.
| Erythrina poeppigiana |
| PubChem | 44481781 |
| LOTUS | LTS0165434 |
| wikiData | Q104993571 |