3-(2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl)-5,7-Dihydroxy-6-(3-Methylbut-2-Enyl)Chroman-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3746555 | |
| PubChem: | 480786 | |
| IUPAC: | 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)28)18-12-31-21-11-20(27)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3 | |
| Standard InChI Key: | RIWDYFGEQJAMKI-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1c(O)cc2c(c1O)C(=O)C(CO2)c1ccc(c(c1O)CC=C(C)C)O)C | |
Molecular propeties
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| AlogP: | 4.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 424.19 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.32 | |
| Number of carbons: | 25 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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