2,4,4,6-Tetrahydroxy-3-Geranylchalcone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL480722 | |
| PubChem: | 10070028 | |
| IUPAC: | (E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-12,14-15,26,28-30H,4,6,13H2,1-3H3/b14-10+,17-7+ | |
| Standard InChI Key: | GVXVZXDPRNGAOE-ZCFXJLACSA-N | |
| SMILES: | C/C(=CCc1c(O)cc(c(c1O)C(=O)/C=C/c1ccc(cc1)O)O)/CCC=C(C)C | |
Molecular propeties
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| AlogP: | 5.64 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 408.19 | |
| Topological polar surface area: | 98 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.24 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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