Isosophoranone
| Internal ID | f893070f-a9a1-4bf0-9aab-97024a575535 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1OC)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1OC)C2COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)C |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3 |
| InChI Key | ARNVYCOTFWJTBS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.40 |
| CHEMBL3747601 |
| 64280-18-8 |
| DTXSID70904228 |
| BDBM50134718 |
| LMPK12050482 |
| AKOS040734601 |
| 4',5,7-trihydroxy-2'-methoxy-3',6-diprenylisoflavanone |
| 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chroman-4-one |
| NCGC00385780-01!5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-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% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.73% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.13% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.18% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.16% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.15% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.13% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.93% | 92.68% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.95% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.31% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.18% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.95% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.57% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.76% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.52% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.39% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.07% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.59% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.51% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.38% | 93.40% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.35% | 94.80% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.05% | 98.75% |
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.
| Campylotropis hirtella |
| Sophora chrysophylla |
| Sophora koreensis |
| Sophora microphylla |
| Sophora tomentosa |
| PubChem | 10478290 |
| LOTUS | LTS0254368 |
| wikiData | Q82873474 |