4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-Hydroxy-2,6,6-Trimethylcyclohex-2-En-1-Yl)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-Nonaenyl]-3,5,5-Trimethylcyclohex-3-En-1-Ol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1979448 | |
| PubChem: | 5368396 | |
| IUPAC: | 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | |
| Standard InChI: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ | |
| Standard InChI Key: | KBPHJBAIARWVSC-DKLMTRRASA-N | |
| SMILES: | C/C(=CC=CC=C(C=CC=C(C=CC1=C(C)CC(CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/C1C(=CC(CC1(C)C)O)C)C | |
Molecular propeties
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| AlogP: | 10.4 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 2 | |
| Molecular Weight: | 568.43 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.45 | |
| Number of carbons: | 40 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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