3-[2,3-Dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one
| Internal ID | 2281d22b-ff18-47c9-ba86-9214e6e622cc |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids |
| IUPAC Name | 3-[2,3-dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O7/c1-5-21(2,3)13-8-11(18(25)19(26)20(13)27-4)12-9-28-15-7-10(22)6-14(23)16(15)17(12)24/h5-9,22-23,25-26H,1H2,2-4H3 |
| InChI Key | ALEMJSHQQKBVHK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C21H20O7 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 3-[2,3-Dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-23-dihydroxy-4-methoxy-5-2-methylbut-3-en-2-ylphenyl-57-dihydroxychromen-4-one.jpg "2D Structure of 3-[2,3-Dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)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 | 99.50% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.69% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.23% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.42% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.45% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 90.95% | 80.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.37% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.60% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.05% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.43% | 95.64% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.40% | 94.42% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.66% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.10% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 81.32% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.40% | 97.14% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.30% | 98.21% |
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.
| Dermatophyllum arizonicum |
| Dermatophyllum secundiflorum |
| PubChem | 162943939 |
| LOTUS | LTS0228585 |
| wikiData | Q104914049 |