5,7-Dihydroxy-2-[3,4,7-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-2,3-dihydrochromen-4-one
| Internal ID | 06f70ab1-1ee7-42d2-8841-1f0c241ec42a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones |
| IUPAC Name | 5,7-dihydroxy-2-[3,4,7-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC2=C1OC(C(C2O)O)(C)C)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC2=C1OC(C(C2O)O)(C)C)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C |
| InChI | InChI=1S/C25H28O8/c1-11(2)5-6-13-21(29)14(9-15-22(30)24(31)25(3,4)33-23(13)15)18-10-17(28)20-16(27)7-12(26)8-19(20)32-18/h5,7-9,18,22,24,26-27,29-31H,6,10H2,1-4H3 |
| InChI Key | DVMXYUXKBZIKKF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O8 |
| Molecular Weight | 456.50 g/mol |
| Exact Mass | 456.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-[3,4,7-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/c5456260-84a1-11ee-9a09-6b83b374ee88.jpg "2D Structure of 5,7-Dihydroxy-2-[3,4,7-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-2,3-dihydrochromen-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 | 99.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.14% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.46% | 96.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.15% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.93% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.25% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.27% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.90% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.30% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.69% | 83.10% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 85.66% | 80.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.56% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.19% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.38% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.58% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.16% | 85.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.63% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.67% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.96% | 99.35% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.75% | 95.64% |
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 abyssinica |
| PubChem | 162951735 |
| LOTUS | LTS0011543 |
| wikiData | Q104990223 |