(3R)-2',4'-Dihydroxy-5-methoxy-6'',6''-dimethyl-3'-prenyl-4'',5''-dihydroxypyrano[2'',3'':7,6]isoflavan
| Internal ID | 0de3943c-0367-47f0-836f-ac40bc03237b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 5-O-methylated isoflavonoids |
| IUPAC Name | 4-(5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C=C4C(=C3OC)CCC(O4)(C)C)OC2)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C=C4C(=C3OC)CCC(O4)(C)C)OC2)O)C |
| InChI | InChI=1S/C26H32O5/c1-15(2)6-7-18-21(27)9-8-17(24(18)28)16-12-20-22(30-14-16)13-23-19(25(20)29-5)10-11-26(3,4)31-23/h6,8-9,13,16,27-28H,7,10-12,14H2,1-5H3 |
| InChI Key | JRVDUBFSQWHYRJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H32O5 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (3R)-2',4'-Dihydroxy-5-methoxy-6'',6''-dimethyl-3'-prenyl-4'',5''-dihydroxypyrano[2'',3'':7,6]isoflavan](https://plantaedb.com/storage/docs/compounds/2023/11/eb9e4d80-83bd-11ee-a09f-8f8c14dba217.jpg "2D Structure of (3R)-2',4'-Dihydroxy-5-methoxy-6'',6''-dimethyl-3'-prenyl-4'',5''-dihydroxypyrano[2'',3'':7,6]isoflavan")
| 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 | 99.93% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.94% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.47% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.01% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.49% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.83% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.52% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.08% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.08% | 99.15% |
| CHEMBL240 | Q12809 | HERG | 87.27% | 89.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.67% | 92.62% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.63% | 99.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.92% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.57% | 89.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.23% | 99.43% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.15% | 94.03% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.49% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.69% | 93.99% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.42% | 85.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.28% | 98.75% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.04% | 91.96% |
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.
| Glycyrrhiza uralensis |
| PubChem | 78190881 |
| LOTUS | LTS0028102 |
| wikiData | Q105134120 |