7-(3,7-Dimethylocta-2,6-dienoxy)-8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | ae32e303-a18c-4e12-afc3-83c6ff3e82c1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 7-(3,7-dimethylocta-2,6-dienoxy)-8-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OCC=C(C)CCC=C(C)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OCC=C(C)CCC=C(C)C)C)C |
| InChI | InChI=1S/C35H44O5/c1-23(2)9-7-11-25(5)13-18-29-33(39-20-19-26(6)12-8-10-24(3)4)22-31(38)34-30(37)21-32(40-35(29)34)27-14-16-28(36)17-15-27/h9-10,13-17,19,22,32,36,38H,7-8,11-12,18,20-21H2,1-6H3 |
| InChI Key | FSJJKEVQMKJKML-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H44O5 |
| Molecular Weight | 544.70 g/mol |
| Exact Mass | 544.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 9.90 |
| There are no found synonyms. |
| 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 | 98.86% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.53% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.23% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.50% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.24% | 97.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.73% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.68% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.46% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.74% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.29% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.80% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.96% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.71% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.08% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.99% | 95.78% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.30% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.99% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.64% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.29% | 96.95% |
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.
| Tephrosia villosa |
| PubChem | 162843094 |
| LOTUS | LTS0128753 |
| wikiData | Q105000668 |