(2S,9R)-5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
| Internal ID | b9f70e19-07aa-4fe0-9148-c0395ec746e9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S,9R)-5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1CC2=C(C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)OC)O)OC1(C)C)C |
| SMILES (Isomeric) | CC(=CC[C@@H]1CC2=C(C=C(C3=C2O[C@@H](CC3=O)C4=C(C=C(C=C4)O)OC)O)OC1(C)C)C |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-7-15-10-18-23(32-26(15,3)4)13-20(29)24-19(28)12-22(31-25(18)24)17-9-8-16(27)11-21(17)30-5/h6,8-9,11,13,15,22,27,29H,7,10,12H2,1-5H3/t15-,22+/m1/s1 |
| InChI Key | QBFPWKGRQPYWRQ-QRQCRPRQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (2S,9R)-5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/277352b0-8502-11ee-8c55-d36eac9b0b22.jpg "2D Structure of (2S,9R)-5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8,8-dimethyl-9-(3-methylbut-2-enyl)-2,3,9,10-tetrahydropyrano[2,3-h]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 | 99.63% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.84% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.70% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.09% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.49% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.56% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.16% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.10% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.68% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.15% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.01% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.73% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.59% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.41% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.08% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.54% | 94.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.13% | 97.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.99% | 89.50% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.99% | 91.96% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.67% | 100.00% |
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.
| Sophora leachiana |
| PubChem | 162845284 |
| LOTUS | LTS0201328 |
| wikiData | Q105217770 |