(6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,14,16,18,22,26,30-Nonaene
Representations & DB's id
| ||
| ChEBI: | CHEBI:8191 | |
|---|---|---|
| ChEMBL: | CHEMBL1988265 | |
| PubChem: | 5280784 | |
| IUPAC: | (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene | |
| Standard InChI: | InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ | |
| Standard InChI Key: | YVLPJIGOMTXXLP-KEKOKYSKSA-N | |
| SMILES: | C/C(=CC=CC=C(CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C)/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C | |
Molecular propeties
| ||
| AlogP: | 13.83 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 20 | |
| Number of rings: | 0 | |
| Molecular Weight: | 544.5 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.55 | |
| Number of carbons: | 40 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|