(3R)-3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2H-chromen-4-one
| Internal ID | 88e00dc2-aaf5-4df2-bb10-ba749bd91144 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 2-O-methylated isoflavonoids |
| IUPAC Name | (3R)-3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2H-chromen-4-one |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C(C(=C1)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)O |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C(C(=C1)[C@]2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)O |
| InChI | InChI=1S/C21H22O7/c1-5-20(2,3)12-8-13(16(27-4)9-14(12)23)21(26)10-28-17-7-11(22)6-15(24)18(17)19(21)25/h5-9,22-24,26H,1,10H2,2-4H3/t21-/m0/s1 |
| InChI Key | ZEAZCKQOXWNYEA-NRFANRHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (3R)-3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2H-chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-357-trihydroxy-3-4-hydroxy-2-methoxy-5-2-methylbut-3-en-2-ylphenyl-2h-chromen-4-one.jpg "2D Structure of (3R)-3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2H-chromen-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 | 98.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.07% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.65% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.96% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.76% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.83% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.26% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.87% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.52% | 93.40% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.28% | 80.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.01% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.42% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.35% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.29% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.00% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.92% | 93.99% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.42% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 80.98% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.81% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.71% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.45% | 82.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.08% | 94.73% |
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.
| Sophora koreensis |
| PubChem | 162877494 |
| LOTUS | LTS0182173 |
| wikiData | Q105373011 |