3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 52d9cf3b-3161-45e5-b1d5-2493dbc6c1e4 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 3-[3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=CC(=C1)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C)C |
| InChI | InChI=1S/C30H36O5/c1-18(2)7-6-8-20(5)10-11-22-15-21(12-14-25(22)31)24-17-35-27-16-26(32)23(13-9-19(3)4)29(33)28(27)30(24)34/h7,9-10,12,14-16,24,31-33H,6,8,11,13,17H2,1-5H3 |
| InChI Key | GWXRDVXVNDTQKV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O5 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/04de2850-859f-11ee-af1d-ddd22387de5f.jpg "2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-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 | 99.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.49% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.23% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.92% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.49% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.19% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.73% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.51% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.18% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.67% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.30% | 99.15% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.99% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.96% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.92% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.78% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.96% | 95.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.52% | 99.23% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.43% | 92.68% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.34% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.15% | 92.08% |
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 | 72733691 |
| LOTUS | LTS0209123 |
| wikiData | Q105022875 |