Compound | BBB | HIA | CYP inhibition/substrate | Subcellular localization | HERG Inhibition |
---|---|---|---|---|---|
(A)Esculin | 0.6058 | 0.5202 | Non-substrate/ Non-inhibitor | Mitochondria | Weak |
alpha-Bulnesene | 0.9723 | 0.9940 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
alpha-Cadinol | 0.9455 | 1.0000 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
Estragole | 0.9383 | 0.9939 | Non-substrate/ inhibitor | Mitochondria | Weak |
Benzyl valerate | 0.9739 | 1.0000 | Non-substrate/ Non-inhibitor | Plasma membrane | |
beta-Bourbonene | 0.9612 | 0.9934 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
beta-Chamigrene | 0.9554 | 0.9875 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
(Z)-gamma-Bisabolene | 0.9399 | 0.9934 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
Carvacrol | 0.9381 | 0.9955 | Non-substrate/ Non-inhibitor | Mitochondria | Weak |
Ellagic acid | 0.5641 | 0.7199 | Non-substrate/ Non-inhibitor | Mitochondria | Weak |
Humulene epoxide II | 0.9674 | 1.0000 | Non-substrate/ inhibitor | Lysosome | Weak |
Isobornyl acetate | 0.9719 | 0.9969 | Non-substrate/ Non-inhibitor | Mitochondria | Weak |
Juniper camphor | 0.9455 | 1.0000 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
Linalyl anthranilate | 0.9014 | 0.9669 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
Myrtenyl acetate | 0.9002 | 0.9950 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
Myrtucommulone A | 0.6582 | 0.9790 | Non-substrate/ inhibitor | Mitochondria | Weak |
Myrtucommulone B | 0.5297 | 0.9687 | Non-substrate/ inhibitor | Mitochondria | Weak |
Patuletin | 0.8171 | 0.9482 | Non-substrate/ Non-inhibitor | Mitochondria | Weak |
p-Cymen-8-ol | 0.9741 | 0.9944 | Non-substrate/ Non-inhibitor | Mitochondria | Weak |
p-Cymol | 0.9677 | 0.9960 | Non-substrate/ Non-inhibitor | Lysosome | Weak |
Semimyrtucommulone | 0.6582 | 0.9790 | Non-substrate/ inhibitor | Mitochondria | Weak |
Spathulenol | 0.9648 | 0.9913 | Non-substrate/ inhibitor | Lysosome | Weak |
Terpinolene | 0.9299 | 0.9963 | Non-substrate/Non-inhibitor | Lysosome | Weak |