3-[4-(2,7-Dimethylocta-2,6-dienoxy)phenyl]-5,7-dihydroxychromen-4-one
| Internal ID | 93fcd2fc-5baf-483d-ac7f-30ed08574e2f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-[4-(2,7-dimethylocta-2,6-dienoxy)phenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCCC=C(C)COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)C |
| SMILES (Isomeric) | CC(=CCCC=C(C)COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)C |
| InChI | InChI=1S/C25H26O5/c1-16(2)6-4-5-7-17(3)14-29-20-10-8-18(9-11-20)21-15-30-23-13-19(26)12-22(27)24(23)25(21)28/h6-13,15,26-27H,4-5,14H2,1-3H3 |
| InChI Key | DXMQUDDSYNTIBT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 3-[4-(2,7-Dimethylocta-2,6-dienoxy)phenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-27-dimethylocta-26-dienoxyphenyl-57-dihydroxychromen-4-one.jpg "2D Structure of 3-[4-(2,7-Dimethylocta-2,6-dienoxy)phenyl]-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 |
|---|---|---|---|---|
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 99.37% | 96.12% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.75% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.91% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.37% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.32% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.95% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.57% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.10% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.85% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.84% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.46% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.02% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.28% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.37% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.13% | 93.10% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.80% | 92.08% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.21% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.26% | 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.
| Campylotropis hirtella |
| PubChem | 163009421 |
| LOTUS | LTS0239251 |
| wikiData | Q104991074 |