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Accession Number:
pdtdbl00096
Details of the Ligand
Ligand Name :
beta-Sesquiphellandrene
Systematic Names :
beta-Sesquiphellandrene
Molecular Formula :
C
15
H
24
Molecular Weight :
g/mol
IUPAC Name :
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
Canonical SMILES :
CC(CCC=C(C)C)C1CCC(=C)C=C1
Ligand Description :
β-sesquiphellandrene is a sesquiterpene that is cyclohexene in which the hydrogens at position 6 are replaced by a methylidene group and in which the pro-R hydrogen at position 3 is replaced by a (2S)-6-methylhept-5-en-2-yl group.
Related Plants :
Ginger
Ligand Related Dockings :
NA
Ligand References :
https://pubchem.ncbi.nlm.nih.gov/compound/11106487
http://www.chemspider.com/Chemical-Structure.16737054.html
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64361
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