4-[3-[8-Hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]propyl]benzene-1,3-diol
| Internal ID | bdd0f578-1bee-40b7-8e4b-41ea3048ea03 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 4-[3-[8-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]propyl]benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCC1=C2C=CC(OC2=C(C=C1CCCC3=C(C=C(C=C3)O)O)O)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C=CC(OC2=C(C=C1CCCC3=C(C=C(C=C3)O)O)O)(C)C)C |
| InChI | InChI=1S/C25H30O4/c1-16(2)8-11-20-18(7-5-6-17-9-10-19(26)15-22(17)27)14-23(28)24-21(20)12-13-25(3,4)29-24/h8-10,12-15,26-28H,5-7,11H2,1-4H3 |
| InChI Key | GGHLRKGTLFLSMH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O4 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 4-[3-[8-Hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]propyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-8-hydroxy-22-dimethyl-5-3-methylbut-2-enylchromen-6-ylpropylbenzene-13-diol.jpg "2D Structure of 4-[3-[8-Hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-6-yl]propyl]benzene-1,3-diol")
| 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 | 99.74% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.35% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.05% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.24% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.24% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.99% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.71% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.39% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.06% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.98% | 93.99% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.68% | 91.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.95% | 91.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.63% | 95.93% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.16% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.43% | 90.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.16% | 85.00% |
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 | 21637735 |
| LOTUS | LTS0196397 |
| wikiData | Q105008094 |