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. 2018 Mar 6;8:4090. doi: 10.1038/s41598-018-22362-1

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© The Author(s) 2018

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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(A) Physiochemical properties of zerumbone and α-humulene representing the molecular weight (MW), number of heavy atoms (NHA); fraction Csp3 (FCsp3); number of H-bond acceptors (NH-BA); molar refractivity (MR), topological polar surface area (TPSA) and XLogP3-AA. (B) Toxicity analysis of zerumbone and α-humulene on blood, cardiovascular system (CS), gastrointestinal system (GS), kidney, liver and lungs. (C) LD₅₀ analysis of Zerumbone and α-humulene on Mouse/Intraperitoneal (M-IP); Mouse/Oral (M-O); Mouse/Intravenous (M-IV); Mouse/Subcutaneous (M-SC); Rat/Intraperitoneal (R-IP) and Rat/Oral (R-O).