SpiceCom: A database of phytochemicals in major spices

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BETA-ELEMENE

PubChem ID
6918391
Chemical Name
BETA-ELEMENE
Molecular Formula
C15H24
Canonical SMILES
CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
IUPAC Name
(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Molecular Weight
204.357 g/mol
XLogP
6.1
Rotatable Bond Count
3
Lipinsky's Rule of Five
No
Sources
Allspice, Black pepper, Cinnamon, Ginger
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