(3R)-3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromen-4-one
| Internal ID | ee872259-bf64-4c94-ae25-f512b6a5dc51 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | (3R)-3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OCC(C3=O)(C4=C(C=C(C=C4)OC)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OC[C@@](C3=O)(C4=C(C=C(C=C4)OC)O)O)C |
| InChI | InChI=1S/C21H20O6/c1-20(2)9-8-13-17(27-20)7-5-14-18(13)26-11-21(24,19(14)23)15-6-4-12(25-3)10-16(15)22/h4-10,22,24H,11H2,1-3H3/t21-/m0/s1 |
| InChI Key | JAIJYLCLNSGAMU-NRFANRHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (3R)-3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-3-hydroxy-3-2-hydroxy-4-methoxyphenyl-88-dimethyl-2h-pyrano23-fchromen-4-one.jpg "2D Structure of (3R)-3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]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 | 99.54% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.73% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.77% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.74% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.81% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.62% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.79% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.87% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.39% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.36% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.17% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.78% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.55% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.88% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.54% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.23% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.82% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.69% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.18% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.13% | 99.17% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.96% | 95.53% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.42% | 96.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.78% | 97.14% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.63% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.43% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.22% | 85.14% |
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 glabra |
| PubChem | 163019265 |
| LOTUS | LTS0257210 |
| wikiData | Q105123775 |