(5,7-Dihydroxy-2,2-dimethyl-chromen-8-yl)-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
| Internal ID | 50b21e17-a66c-4c1c-920e-f75c63257a8f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | (5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C=C1O)O)C(=O)C2=C(C=C(C3=C2OC(C=C3)(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C=C1O)O)C(=O)C2=C(C=C(C3=C2OC(C=C3)(C)C)O)O)C |
| InChI | InChI=1S/C23H24O6/c1-12(2)5-6-14-16(9-13(24)10-17(14)25)21(28)20-19(27)11-18(26)15-7-8-23(3,4)29-22(15)20/h5,7-11,24-27H,6H2,1-4H3 |
| InChI Key | NHYPUSZEORKJCF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H24O6 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.20 |
| Methanone, (5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)[3,5-dihydroxy-2-(3-methyl-2-butenyl)phenyl]- |
![2D Structure of (5,7-Dihydroxy-2,2-dimethyl-chromen-8-yl)-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone](https://plantaedb.com/storage/docs/compounds/2023/07/57-dihydroxy-22-dimethyl-chromen-8-yl-35-dihydroxy-2-3-methylbut-2-enylphenylmethanone.jpg "2D Structure of (5,7-Dihydroxy-2,2-dimethyl-chromen-8-yl)-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone")
| 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 | 99.27% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.48% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.63% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.05% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.30% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.86% | 90.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.23% | 99.35% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.66% | 85.30% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.03% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.81% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.28% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.26% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.40% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.84% | 86.33% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.74% | 80.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.66% | 91.19% |
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.
| Maclura cochinchinensis |
| PubChem | 509242 |
| NPASS | NPC136107 |
| LOTUS | LTS0194570 |
| wikiData | Q105179665 |