3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | fef3e296-f744-47ef-b549-5b756a039c38 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 3-[3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-8-18-11-17(9-10-21(18)27)20-14-30-23-13-19(26)12-22(28)24(23)25(20)29/h5,7,9-13,20,26-28H,4,6,8,14H2,1-3H3 |
| InChI Key | YFTKBDQVWMZIOT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-37-dimethylocta-26-dienyl-4-hydroxyphenyl-57-dihydroxy-23-dihydrochromen-4-one.jpg "2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-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 | 99.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.31% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.97% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.98% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.68% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.81% | 83.82% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.80% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.23% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.75% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.82% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.23% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.88% | 99.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.45% | 92.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.88% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.45% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.70% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.91% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.46% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.92% | 93.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163039228 |
| LOTUS | LTS0081175 |
| wikiData | Q105127690 |