Chiricanine A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL471087 | |
| PubChem: | 11087176 | |
| IUPAC: | 2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C19H20O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-10,12-13,20-21H,11H2,1-2H3/b10-9+ | |
| Standard InChI Key: | LJFRYKIVTYCTIO-MDZDMXLPSA-N | |
| SMILES: | CC(=CCc1c(O)cc(cc1O)/C=C/c1ccccc1)C | |
Molecular propeties
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| AlogP: | 4.78 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 280.15 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.158 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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