4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
| Internal ID | 48a85d1e-9569-4c99-b826-bfea7dd2eb27 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 5-O-methylated isoflavonoids |
| IUPAC Name | 4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7,9-10,13,22-24H,6,8,11H2,1-3H3 |
| InChI Key | RCZMWVKBVFOCEE-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-7-hydroxy-5-methoxy-6-3-methylbut-2-enyl-34-dihydro-2h-chromen-3-ylbenzene-13-diol.jpg "2D Structure of 4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1973 | P14679 | Tyrosinase |
177 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.02% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.32% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.12% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.53% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.25% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.03% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.57% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.00% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.03% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.24% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.98% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.82% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.63% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.47% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.32% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 81.61% | 89.76% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.54% | 85.00% |
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.
| Glycyrrhiza aspera |
| Glycyrrhiza uralensis |
| PubChem | 45783134 |
| LOTUS | LTS0070422 |
| wikiData | Q105234084 |