5,7-Dihydroxy-3-(8-Hydroxy-2,2-Dimethyl-3,4-Dihydrochromen-6-Yl)Chromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL490343 | |
| PubChem: | 10736822 | |
| IUPAC: | 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h5-9,21-23H,3-4H2,1-2H3 | |
| Standard InChI Key: | LGPCDNFADMBMDD-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)occ(c2=O)c1cc(O)c2c(c1)CCC(O2)(C)C | |
Molecular propeties
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| AlogP: | 3.68 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 354.11 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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