| Phytochemical Name : Zerumbone |
| PCNDIDZ0004 |
| Pubchem CID : 5470187 |
| Molecular formula: C15H22O |
| Canonical SMILES : CC1=CCC(C=CC(=O)C(=CCC1)C)(C)C |
Synonymes : Zerumbone|471-05-6|(2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one|(E,E,E)-2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one|CHEMBL245412|2E,6E,9E-humulatrien-8-one|CHEBI:63892|erumbone|2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one|SCHEMBL12831266|Zerumbone, >=98% (HPLC)|DTXSID601318583|SRCZ-00151|HY-N7015|BDBM50241296|HB4130|NSC698299|s5928|AKOS040758793|CCG-208558|NSC-698299|LS-58865|MS-23207|XZ166948|CS-0003365|C20262|E80606|Q27132897 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.720 |
| Log Po/w (XLOGP3) : 3.940 |
| Log Po/w (WLOGP) : 4.210 |
| Log Po/w (MLOGP) : 3.370 |
| Log Po/w (SILICOS-IT) : 3.580 |
| Consensus Log Po/w : 3.570 |