3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-5,7-dihydroxychromen-4-one
| Internal ID | caa2f4af-096e-4632-864a-c888b16e3830 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O)/C)C |
| InChI | InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-8-16-9-17(10-21(28)24(16)29)19-13-31-22-12-18(26)11-20(27)23(22)25(19)30/h5,7,9-13,26-29H,4,6,8H2,1-3H3/b15-7+ |
| InChI Key | TTXMLQXTLSWLTD-VIZOYTHASA-N |
| Popularity | 0 references 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 |
| There are no found synonyms. |
![2D Structure of 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-2e-37-dimethylocta-26-dienyl-45-dihydroxyphenyl-57-dihydroxychromen-4-one.jpg "2D Structure of 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-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 | 99.57% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.60% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 96.39% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.51% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.46% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.70% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.67% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.81% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.83% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.75% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.81% | 93.10% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.26% | 91.38% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.84% | 95.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.62% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.84% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.54% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.82% | 99.23% |
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 | 44227219 |
| LOTUS | LTS0245274 |
| wikiData | Q105264564 |