3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
| Internal ID | 3b026b8d-4a04-494d-aaaa-f153661d8705 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-[3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C)C |
| InChI | InChI=1S/C25H26O5/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/h5,7,9-14,26-28H,4,6,8H2,1-3H3 |
| InChI Key | HJFORXVEHXONPU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-37-dimethylocta-26-dienyl-4-hydroxyphenyl-57-dihydroxychromen-4-one.jpg "2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-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 | 99.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.87% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 98.85% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.56% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.20% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.91% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.49% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.43% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.92% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.74% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.09% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.13% | 97.28% |
| CHEMBL3194 | P02766 | Transthyretin | 81.25% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.12% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.01% | 90.00% |
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 | 90794549 |
| LOTUS | LTS0238424 |
| wikiData | Q105029209 |