8-(1,1-Dimethylpropyl)-3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chroman-6-yl]chromen-4-one
| Internal ID | 45761022-3f62-434b-86b5-a31ab77c73be |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 2-prenylated flavones |
| IUPAC Name | 3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8-(2-methylbutan-2-yl)chromen-4-one |
| SMILES (Canonical) | CCC(C)(C)C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C4C(=C3CC=C(C)C)CCC(O4)(C)C)O)O)O |
| SMILES (Isomeric) | CCC(C)(C)C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C4C(=C3CC=C(C)C)CCC(O4)(C)C)O)O)O |
| InChI | InChI=1S/C30H36O7/c1-8-29(4,5)23-20(32)14-19(31)22-24(34)25(35)27(36-28(22)23)18-13-21(33)26-17(11-12-30(6,7)37-26)16(18)10-9-15(2)3/h9,13-14,31-33,35H,8,10-12H2,1-7H3 |
| InChI Key | RCJFELPRTNNLMF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H36O7 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 7.60 |
| 8-(1,1-dimethylpropyl)-3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chroman-6-yl]chromen-4-one |
![2D Structure of 8-(1,1-Dimethylpropyl)-3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chroman-6-yl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/33bdd810-851b-11ee-9204-690c5198de93.jpg "2D Structure of 8-(1,1-Dimethylpropyl)-3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chroman-6-yl]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 | 99.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.51% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.04% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.80% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.78% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.16% | 85.30% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.32% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.40% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.85% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.63% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.97% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.30% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.93% | 94.75% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.40% | 97.28% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.40% | 95.64% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.25% | 94.42% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.24% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.98% | 96.77% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.67% | 96.90% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.36% | 95.89% |
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.
| Broussonetia papyrifera |
| PubChem | 5481976 |
| LOTUS | LTS0093593 |
| wikiData | Q105233708 |