3-[5-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 1b046ac4-a94f-4676-a94f-29949db659c0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 3-[5-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)C)C |
| InChI | InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-11-20-13-22(25(32)14-24(20)31)23-16-36-27-15-26(33)21(12-9-18(3)4)29(34)28(27)30(23)35/h7,9-10,13-15,23,31-34H,6,8,11-12,16H2,1-5H3 |
| InChI Key | GQCCUSBZODHQHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O6 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 3-[5-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a8d93000-854d-11ee-b4ce-eff86f95cc4a.jpg "2D Structure of 3-[5-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-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 | 99.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.63% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.38% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.35% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.33% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.88% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.36% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.89% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.01% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.89% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.70% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.69% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.15% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.78% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.40% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.85% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.36% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.99% | 97.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.59% | 92.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.37% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.31% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.39% | 91.49% |
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.
| Sophora chrysophylla |
| PubChem | 72733692 |
| LOTUS | LTS0231972 |
| wikiData | Q105015302 |