(3S)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | 36984731-edc5-4ff7-9083-25cdaf00e7a5 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids |
| IUPAC Name | (3S)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OCC(C2=O)C3=C(C(=C(C=C3)OC)OC)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC[C@@H](C2=O)C3=C(C(=C(C=C3)OC)OC)OC)O)C |
| InChI | InChI=1S/C23H26O7/c1-12(2)6-7-14-16(24)10-18-19(20(14)25)21(26)15(11-30-18)13-8-9-17(27-3)23(29-5)22(13)28-4/h6,8-10,15,24-25H,7,11H2,1-5H3/t15-/m1/s1 |
| InChI Key | FPDSAFDZESQGFV-OAHLLOKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O7 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.80 |
| 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 | 99.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.73% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.82% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.49% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.13% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.97% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.67% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.96% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.64% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.26% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.91% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.71% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.64% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.19% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.93% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.28% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.83% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.34% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.07% | 94.00% |
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.
| Desmodium uncinatum |
| PubChem | 162949552 |
| LOTUS | LTS0237231 |
| wikiData | Q104999107 |