Table 5 Physiochemical properties of zerumbone and α-humulene.
From: Zerumbone reduces proliferation of HCT116 colon cancer cells by inhibition of TNF-alpha
Properties | Zerumbone | α-humulene |
|---|---|---|
2D Structure |
|
|
Formula | C15H22O | C15H24 |
Molecular weight (MW) | 218.33 g/mol | 204.35 g/mol |
Num. heavy atoms (NHA) | 16 | 15 |
Num. arom. heavy atoms (NAHA) | 0 | 0 |
Fraction Csp3 (FCsp3) | 0.53 | 0.60 |
Num. H-bond acceptors (NH-BA) | 1 | 0 |
Num. H-bond donors (NH-BD) | 0 | 0 |
Molar Refractivity (MR) | 70.62 | 70.42 |
Topological Polar Surface Area (TPSA) | 17.07 Ų | 0.00 Ų |
XLogP3-AA | 3.9 | 4.5 |
