3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
| Internal ID | 8e7898ac-0e67-4655-8e64-7ebb06ee1ab6 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | 3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OCC(C2=O)C4=C(C=C(C=C4)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C3=C1OC(C=C3)(C)C)OCC(C2=O)C4=C(C=C(C=C4)O)O)O)C |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-7-16-21(28)20-22(29)18(15-8-6-14(26)11-19(15)27)12-30-24(20)17-9-10-25(3,4)31-23(16)17/h5-6,8-11,18,26-28H,7,12H2,1-4H3 |
| InChI Key | JFNOODAWRZYNPU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/32f41ff0-85d4-11ee-b10f-ad2509fd0938.jpg "2D Structure of 3-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-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 | 99.81% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.85% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.14% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.70% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.20% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.54% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.23% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.66% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.38% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.26% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.19% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.05% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.58% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.04% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.03% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.57% | 99.15% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.66% | 80.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.54% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.39% | 96.12% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.49% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.94% | 99.23% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.67% | 85.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.16% | 98.75% |
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 addisoniae |
| PubChem | 11964495 |
| LOTUS | LTS0081839 |
| wikiData | Q105126778 |