3,5,7-Trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-4-one
| Internal ID | aba12665-3ff2-4cb1-baf5-a75d31c44561 |
| 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-methylbut-3-en-2-yl)chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C2CCC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2CCC(OC2=C(C=C1C3=C(C(=O)C4=C(O3)C(=C(C=C4O)O)C(C)(C)C=C)O)O)(C)C)C |
| InChI | InChI=1S/C30H34O7/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/h8-9,13-14,31-33,35H,1,10-12H2,2-7H3 |
| InChI Key | MROPLXAKUPCFHK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O7 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 7.40 |
| LMPK12112295 |
| 3,5,7-trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-4-one |
![2D Structure of 3,5,7-Trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8-(2-methylbut-3-en-2-yl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/75177ec0-85f6-11ee-912c-bb81a00794d4.jpg "2D Structure of 3,5,7-Trihydroxy-2-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8-(2-methylbut-3-en-2-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 | 99.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.31% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.20% | 89.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.02% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.99% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.83% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.80% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.38% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.74% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.46% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.88% | 93.40% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.57% | 95.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.22% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.13% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.06% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.51% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.74% | 94.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.43% | 100.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.30% | 94.42% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.00% | 96.90% |
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 |
| Hymenoxys odorata |
| Hymenoxys richardsonii |
| PubChem | 14542431 |
| LOTUS | LTS0039916 |
| wikiData | Q105193910 |