3-[2,4-Dihydroxy-5-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
| Internal ID | 05ac4fc9-038b-4cce-943b-74fa33c5855f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids > 3-O-methylisoflavones |
| IUPAC Name | 3-[2,4-dihydroxy-5-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC(=C1O)OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC(=C1O)OC)C2=COC3=C(C2=O)C=CC(=C3)O)O)C |
| InChI | InChI=1S/C21H20O6/c1-11(2)4-6-14-20(24)15(9-18(26-3)21(14)25)16-10-27-17-8-12(22)5-7-13(17)19(16)23/h4-5,7-10,22,24-25H,6H2,1-3H3 |
| InChI Key | SQUYMJWQUIVZPN-UHFFFAOYSA-N |
| Popularity | 0 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 | 4.00 |
| There are no found synonyms. |
![2D Structure of 3-[2,4-Dihydroxy-5-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-24-dihydroxy-5-methoxy-3-3-methylbut-2-enylphenyl-7-hydroxychromen-4-one.jpg "2D Structure of 3-[2,4-Dihydroxy-5-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-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 | 99.58% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.80% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.32% | 95.56% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 92.93% | 98.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.02% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.00% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.54% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.66% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.62% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.13% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.99% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.37% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.71% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.15% | 94.75% |
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.
| Piscidia piscipula |
| PubChem | 5481230 |
| LOTUS | LTS0205213 |
| wikiData | Q105258618 |