5-Hydroxy-7-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | aab9ba11-89f3-4655-9221-37b627f6ee3b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 5-hydroxy-7-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H28O6/c1-14(2)6-7-15-10-16(11-19(27)25(15)30-5)18-13-31-21-12-20-17(8-9-26(3,4)32-20)23(28)22(21)24(18)29/h6,8-12,18,27-28H,7,13H2,1-5H3 |
| InChI Key | CDRVAQHKMNXKCL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O6 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-7-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/d0133400-856c-11ee-8561-49402f6efa3e.jpg "2D Structure of 5-Hydroxy-7-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-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 | 99.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.76% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.69% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.32% | 89.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.64% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.18% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.86% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.80% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.51% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.37% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.04% | 97.28% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.67% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.53% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.13% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.08% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.96% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.73% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.28% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.80% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.54% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.92% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.71% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.64% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.54% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.06% | 92.88% |
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.
| Erythrina costaricensis |
| PubChem | 101448019 |
| LOTUS | LTS0207838 |
| wikiData | Q104955107 |