5-Hydroxy-8,8-dimethyl-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
| Internal ID | 9bec40cd-f0ff-469a-b45b-c3b974c0c742 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones |
| IUPAC Name | 5-hydroxy-8,8-dimethyl-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=CC(=C(C=C4O)O)O)CC=C(C)C)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=CC(=C(C=C4O)O)O)CC=C(C)C)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C30H32O7/c1-15(2)7-9-17-25(34)24-26(35)18(10-8-16(3)4)28-19(11-12-30(5,6)37-28)29(24)36-27(17)20-13-22(32)23(33)14-21(20)31/h7-8,11-14,31-33,35H,9-10H2,1-6H3 |
| InChI Key | UPWSRVLYRYCADZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H32O7 |
| Molecular Weight | 504.60 g/mol |
| Exact Mass | 504.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-8,8-dimethyl-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1b05d050-8436-11ee-99bc-c5334311f38d.jpg "2D Structure of 5-Hydroxy-8,8-dimethyl-3,6-bis(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[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 | 99.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.61% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.39% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.96% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.47% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.56% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.37% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.05% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.04% | 91.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.79% | 99.15% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.72% | 85.30% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.30% | 97.28% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.21% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.18% | 90.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.15% | 80.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.83% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.50% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.17% | 90.24% |
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.
| Artocarpus altilis |
| PubChem | 101583543 |
| LOTUS | LTS0004715 |
| wikiData | Q105277041 |