(7S)-7-(2,4-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-7,8-dihydropyrano[2,3-g]chromen-9-one
| Internal ID | 4b2b0941-d666-49ca-8e24-397102ee511e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (7S)-7-(2,4-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=C(C=C(C=C4)OC)OC)OC)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C=CC(OC2=C(C3=C1O[C@@H](CC3=O)C4=C(C=C(C=C4)OC)OC)OC)(C)C)C |
| InChI | InChI=1S/C28H32O6/c1-16(2)8-10-18-19-12-13-28(3,4)34-26(19)27(32-7)24-21(29)15-23(33-25(18)24)20-11-9-17(30-5)14-22(20)31-6/h8-9,11-14,23H,10,15H2,1-7H3/t23-/m0/s1 |
| InChI Key | FZMRUMHVVNEBRJ-QHCPKHFHSA-N |
| Popularity | 1 reference 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 |
| (7S)-7-(2,4-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-7,8-dihydropyrano[2,3-g]chromen-9-one |
![2D Structure of (7S)-7-(2,4-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/2023/11/05984a80-8544-11ee-9dcc-53ac88aaa26f.jpg "2D Structure of (7S)-7-(2,4-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 | 99.37% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.50% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.04% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.48% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.63% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.59% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.62% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.59% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.06% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.06% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.58% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.45% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.73% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.57% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.26% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.16% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.80% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.73% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 83.85% | 89.76% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.26% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.61% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.25% | 96.12% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.60% | 97.05% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.58% | 91.03% |
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 | 10389716 |
| LOTUS | LTS0260671 |
| wikiData | Q105005038 |