5-Hydroxy-3-[4-hydroxy-3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]-7-methoxychromen-4-one
| Internal ID | 6861afea-affe-4757-890f-83d3980052c1 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids > 7-O-methylisoflavones |
| IUPAC Name | 5-hydroxy-3-[4-hydroxy-3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]-7-methoxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O6/c1-11(22)21(2,3)15-7-12(5-6-16(15)23)14-10-27-18-9-13(26-4)8-17(24)19(18)20(14)25/h5-10,22-24H,1H2,2-4H3 |
| InChI Key | KZVWHSAUUUKXBO-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 | 4.40 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3-[4-hydroxy-3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-3-4-hydroxy-3-3-hydroxy-2-methylbut-3-en-2-ylphenyl-7-methoxychromen-4-one.jpg "2D Structure of 5-Hydroxy-3-[4-hydroxy-3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.65% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.16% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.56% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.77% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.61% | 94.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 90.30% | 80.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.46% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.93% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.89% | 96.12% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.84% | 97.28% |
| CHEMBL3194 | P02766 | Transthyretin | 81.70% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.61% | 99.23% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.06% | 88.48% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.17% | 95.78% |
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 | 162985384 |
| LOTUS | LTS0106266 |
| wikiData | Q105148461 |