Chiricanine C
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL512168 | |
| PubChem: | 10893817 | |
| IUPAC: | 3-methoxy-2,4-bis(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol | |
| Standard InChI: | InChI=1S/C25H30O2/c1-18(2)11-15-22-21(14-13-20-9-7-6-8-10-20)17-24(26)23(25(22)27-5)16-12-19(3)4/h6-14,17,26H,15-16H2,1-5H3/b14-13+ | |
| Standard InChI Key: | ZMMOCDBCJOUFDQ-BUHFOSPRSA-N | |
| SMILES: | COc1c(CC=C(C)C)c(/C=C/c2ccccc2)cc(c1CC=C(C)C)O | |
Molecular propeties
| ||
| AlogP: | 6.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 362.22 | |
| Topological polar surface area: | 29.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.28 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|