8-[3-(2,4-Dihydroxyphenyl)-2,5,6-trihydroxyphenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 61d5ed13-7231-423e-9f81-50d8e6956655 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 8-[3-(2,4-dihydroxyphenyl)-2,5,6-trihydroxyphenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC3=C1OC(CC3=O)C4=C(C(=CC(=C4O)O)C5=C(C=C(C=C5)O)O)O)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC3=C1OC(CC3=O)C4=C(C(=CC(=C4O)O)C5=C(C=C(C=C5)O)O)O)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C31H30O8/c1-15(2)5-7-19-29-16(9-10-31(3,4)39-29)11-21-23(34)14-25(38-30(19)21)26-27(36)20(13-24(35)28(26)37)18-8-6-17(32)12-22(18)33/h5-6,8-13,25,32-33,35-37H,7,14H2,1-4H3 |
| InChI Key | XFFLLCTVQRLAND-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H30O8 |
| Molecular Weight | 530.60 g/mol |
| Exact Mass | 530.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 8-[3-(2,4-Dihydroxyphenyl)-2,5,6-trihydroxyphenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/7e24f6d0-872f-11ee-9234-f3ff79b29a7d.jpg "2D Structure of 8-[3-(2,4-Dihydroxyphenyl)-2,5,6-trihydroxyphenyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.80% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.26% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.05% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.52% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.14% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.89% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.44% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.52% | 94.45% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.96% | 91.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.73% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.64% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.69% | 94.73% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 86.64% | 91.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.61% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.06% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.05% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.04% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.29% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.94% | 85.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.86% | 97.28% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.13% | 96.38% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.85% | 99.35% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.71% | 80.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.33% | 95.64% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.29% | 91.07% |
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 | 85148864 |
| LOTUS | LTS0104138 |
| wikiData | Q105326983 |