3-[3,8-Dihydroxy-7-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-5,7-dihydroxychromen-4-one
| Internal ID | 1b83720c-0ce5-4a27-a157-cba841107f7d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones > 2-prenylated isoflavones |
| IUPAC Name | 3-[3,8-dihydroxy-7-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1C3=COC4=CC(=CC(=C4C3=O)O)O)CC(C(O2)(C)C)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1C3=COC4=CC(=CC(=C4C3=O)O)O)CC(C(O2)(C)C)O)O)OC)C |
| InChI | InChI=1S/C26H28O8/c1-12(2)6-7-14-20(16-11-33-18-9-13(27)8-17(28)21(18)22(16)30)15-10-19(29)26(3,4)34-25(15)23(31)24(14)32-5/h6,8-9,11,19,27-29,31H,7,10H2,1-5H3 |
| InChI Key | ULBHYLFUEKDETJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O8 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 3-[3,8-Dihydroxy-7-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/ca5d2ec0-8741-11ee-ba3c-bf4d66259de3.jpg "2D Structure of 3-[3,8-Dihydroxy-7-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromen-5-yl]-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 | 99.90% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.19% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.81% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.31% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.44% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.20% | 96.12% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.04% | 95.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.65% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.63% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.54% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.71% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.30% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.06% | 94.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.01% | 92.68% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.94% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.82% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.38% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.14% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.94% | 91.19% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.61% | 97.93% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.40% | 97.28% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.37% | 92.62% |
| CHEMBL3194 | P02766 | Transthyretin | 80.80% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.25% | 97.09% |
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 | 163045664 |
| LOTUS | LTS0187130 |
| wikiData | Q105275002 |