3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
| Internal ID | dc86678a-aa45-47ef-80ad-228241b725ca |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3-[3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-12-22-14-23(13-21(29(22)33)11-9-19(3)4)25-17-35-27-16-24(31)15-26(32)28(27)30(25)34/h7,9-10,13-17,31-33H,6,8,11-12H2,1-5H3 |
| InChI Key | VIPUDTLJTQPSIX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H34O5 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/b7751de0-864b-11ee-8f0c-19773b8d5867.jpg "2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxy-5-(3-methylbut-2-enyl)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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.16% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 97.47% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.14% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.84% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.08% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.33% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.41% | 95.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.50% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.10% | 91.49% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.72% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.03% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.09% | 90.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.33% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.65% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 80.74% | 90.71% |
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.
| Derris taiwaniana |
| PubChem | 162910396 |
| LOTUS | LTS0063821 |
| wikiData | Q105286947 |