8-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 98f741d5-da5e-4b9e-8a15-387f7bb8038e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 8-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC(C(C3=O)O)C4=CC(=C(C=C4)OC)OC)O)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC(C(C3=O)O)C4=CC(=C(C=C4)OC)OC)O)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C27H30O7/c1-14(2)7-9-17-25-16(11-12-27(3,4)34-25)21(28)20-22(29)23(30)24(33-26(17)20)15-8-10-18(31-5)19(13-15)32-6/h7-8,10-13,23-24,28,30H,9H2,1-6H3 |
| InChI Key | WCTRYHAQIBWVEQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O7 |
| Molecular Weight | 466.50 g/mol |
| Exact Mass | 466.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 8-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/ebe46bb0-86ed-11ee-a206-b986a7485e55.jpg "2D Structure of 8-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.70% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.17% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.91% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.22% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.97% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.66% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.36% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.85% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.27% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.74% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.46% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.08% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.53% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.25% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.65% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.34% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.99% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.79% | 89.62% |
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 chinense |
| PubChem | 74941991 |
| LOTUS | LTS0092496 |
| wikiData | Q105302081 |