(8R)-8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
| Internal ID | 422ad4de-5068-4d98-8b83-f29932682dfd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | (8R)-8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(CCC2=CC3=C(C=C2O1)OC(CC3=O)C4=CC5=C(C=C4)OC(CC5)(C)C)C |
| SMILES (Isomeric) | CC1(CCC2=CC3=C(C=C2O1)O[C@H](CC3=O)C4=CC5=C(C=C4)OC(CC5)(C)C)C |
| InChI | InChI=1S/C25H28O4/c1-24(2)9-7-16-11-15(5-6-20(16)28-24)21-13-19(26)18-12-17-8-10-25(3,4)29-22(17)14-23(18)27-21/h5-6,11-12,14,21H,7-10,13H2,1-4H3/t21-/m1/s1 |
| InChI Key | NGPBIRAXWXZMOD-OAQYLSRUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O4 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (8R)-8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/78c6e870-8588-11ee-8b51-71efcd0741aa.jpg "2D Structure of (8R)-8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.74% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.41% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.33% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.63% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.65% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.56% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.05% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.93% | 89.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.01% | 99.35% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.56% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.25% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.21% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.45% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 90.71% |
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.
| Dorstenia mannii |
| PubChem | 163016279 |
| LOTUS | LTS0126421 |
| wikiData | Q105179063 |