8-[(3S)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol
| Internal ID | 1df90384-05df-4743-b6c7-26b9efa5687c |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 8-[(3S)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O4/c1-24(2)12-10-19-21(28-24)8-5-15-13-16(14-27-22(15)19)17-6-7-20(26)18-9-11-25(3,4)29-23(17)18/h5-12,16,26H,13-14H2,1-4H3/t16-/m1/s1 |
| InChI Key | FTJCYNPATIPOER-MRXNPFEDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O4 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 8-[(3S)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8-3s-88-dimethyl-34-dihydro-2h-pyrano23-fchromen-3-yl-22-dimethylchromen-5-ol.jpg "2D Structure of 8-[(3S)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol")
| 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 | 98.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.56% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.00% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.45% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.36% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.52% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.54% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.49% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.49% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.05% | 89.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.98% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.33% | 93.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.64% | 95.71% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.23% | 97.93% |
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 inflata |
| PubChem | 162981279 |
| LOTUS | LTS0087055 |
| wikiData | Q105001076 |