7-(3,5-Dimethoxyphenyl)-10-methoxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-7,8-dihydropyrano[2,3-g]chromen-9-one
| Internal ID | 80dab924-2b3f-4ba0-a70a-3b558c5e9444 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 7-(3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-7,8-dihydropyrano[2,3-g]chromen-9-one |
| SMILES (Canonical) | CC(=CCC1=C2C=CC(OC2=C(C3=C1OC(CC3=O)C4=CC(=CC(=C4)OC)OC)OC)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C=CC(OC2=C(C3=C1OC(CC3=O)C4=CC(=CC(=C4)OC)OC)OC)(C)C)C |
| InChI | InChI=1S/C28H32O6/c1-16(2)8-9-20-21-10-11-28(3,4)34-26(21)27(32-7)24-22(29)15-23(33-25(20)24)17-12-18(30-5)14-19(13-17)31-6/h8,10-14,23H,9,15H2,1-7H3 |
| InChI Key | CLDGQFJTMBUPMX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O6 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 7-(3,5-Dimethoxyphenyl)-10-methoxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-7,8-dihydropyrano[2,3-g]chromen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/49cd1ed0-8602-11ee-b211-a56a1f4bbd86.jpg "2D Structure of 7-(3,5-Dimethoxyphenyl)-10-methoxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-7,8-dihydropyrano[2,3-g]chromen-9-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 | 99.42% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.24% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.50% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.74% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.45% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.66% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.63% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.26% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.29% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.74% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.17% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.75% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.53% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.08% | 92.68% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.02% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.16% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.99% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.93% | 91.07% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.62% | 80.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.03% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.01% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.31% | 86.92% |
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.
| Eriosema tuberosum |
| PubChem | 85122963 |
| LOTUS | LTS0157172 |
| wikiData | Q104963226 |