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Sigma-Cadinene
PHCD compound ID : 4540
Chemical Names :
Sigma-Cadinene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene , (1R,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
Smiles: CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)CC1
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m1/s1
InChi Key : InChIKey=FUCYIEXQVQJBKY-UKRRQHHQSA-N
PubChem ID : 12306055
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.753091
Hydrogen bond donor count : 0 Electric dipole moment : 0.465
XLogP : 5.46 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.217000
Herb list :
Refrences & Litretures:
  
680.      Journal:'BIOLOGIJA'      Year:'2005'      Volume:'4'      Page:'53'      DOI:''      Title:'Chemical composition of essential oil and antimicrobial activity of Origanum vulgare'
723.      Journal:'Songklanakarin J. Sci. Technol'      Year:'2014'      Volume:'36'      Page:'83'      DOI:''      Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'
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