(7R)-5-hydroxy-7-[(4-methoxyphenyl)methyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | a669bb9a-9859-4489-9b77-37a5c43f1f66 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (7R)-5-hydroxy-7-[(4-methoxyphenyl)methyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(C=CC2=C(C3=C(C=C2O1)OCC(C3=O)CC4=CC=C(C=C4)OC)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(C3=C(C=C2O1)OC[C@H](C3=O)CC4=CC=C(C=C4)OC)O)C |
| InChI | InChI=1S/C22H22O5/c1-22(2)9-8-16-17(27-22)11-18-19(21(16)24)20(23)14(12-26-18)10-13-4-6-15(25-3)7-5-13/h4-9,11,14,24H,10,12H2,1-3H3/t14-/m1/s1 |
| InChI Key | WHASMSGSLODBRS-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O5 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (7R)-5-hydroxy-7-[(4-methoxyphenyl)methyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/7r-5-hydroxy-7-4-methoxyphenylmethyl-22-dimethyl-78-dihydropyrano32-gchromen-6-one.jpg "2D Structure of (7R)-5-hydroxy-7-[(4-methoxyphenyl)methyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-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% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.60% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.34% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.09% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.40% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.22% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.18% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.97% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.31% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.99% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.72% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.16% | 96.77% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.60% | 95.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.40% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.82% | 91.07% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 83.58% | 91.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.45% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.88% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.72% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.62% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.44% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.11% | 97.14% |
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.
| Ledebouria floribunda |
| PubChem | 163041141 |
| LOTUS | LTS0047073 |
| wikiData | Q105305195 |