4-(5-Hydroxy-2,2-dimethylchromen-7-yl)-3,5-bis(3-methylbut-2-enyl)benzene-1,2-diol
| Internal ID | 4a26b394-7f0e-4f82-b8a0-cea25eda8328 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 4-(5-hydroxy-2,2-dimethylchromen-7-yl)-3,5-bis(3-methylbut-2-enyl)benzene-1,2-diol |
| SMILES (Canonical) | CC(=CCC1=CC(=C(C(=C1C2=CC(=C3C=CC(OC3=C2)(C)C)O)CC=C(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C(C(=C1C2=CC(=C3C=CC(OC3=C2)(C)C)O)CC=C(C)C)O)O)C |
| InChI | InChI=1S/C27H32O4/c1-16(2)7-9-18-13-23(29)26(30)21(10-8-17(3)4)25(18)19-14-22(28)20-11-12-27(5,6)31-24(20)15-19/h7-8,11-15,28-30H,9-10H2,1-6H3 |
| InChI Key | JPZNDUXBHSTFPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O4 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
| 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 | 96.27% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.31% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.43% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.34% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.36% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.20% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.12% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.58% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.59% | 85.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.82% | 80.96% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.70% | 91.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.23% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.90% | 94.75% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.83% | 97.28% |
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.
| Clusia paralicola |
| PubChem | 21602027 |
| LOTUS | LTS0157080 |
| wikiData | Q105133405 |