3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one
| Internal ID | 46c88dc2-af21-4401-a5f1-a437c7d644a7 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)/C)C |
| InChI | InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-13,26-29H,4,6,8H2,1-3H3/b15-7+ |
| InChI Key | LEFFXTVNSKTXIC-VIZOYTHASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.10 |
| SCHEMBL24090931 |
| BDBM50134713 |
![2D Structure of 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-2e-37-dimethylocta-26-dienyl-24-dihydroxyphenyl-57-dihydroxychromen-4-one.jpg "2D Structure of 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-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 | 99.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.39% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.84% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.27% | 94.73% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.19% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.85% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.42% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.12% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.02% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.95% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.01% | 99.15% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.20% | 92.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.02% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.98% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.67% | 99.23% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.52% | 92.51% |
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.
| Campylotropis hirtella |
| PubChem | 44227220 |
| LOTUS | LTS0093615 |
| wikiData | Q105150538 |