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ScientificNameLabel
neocembren
PHCD compound ID : 4684
Chemical Names :
neocembren
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (1E,5E,9E,12R)-12-isopropenyl-1,5,9-trimethyl-cyclotetradeca-1,5,9-triene , (1E,5E,9E,12R)-1,5,9-trimethyl-12-(1-methylethenyl)cyclotetradeca-1,5,9-triene , (1E,5E,9E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene , (1E,5E,9E,12R)-1,5,9-trimethyl-12-prop-1-en-2-yl-cyclotetradeca-1,5,9-triene
Smiles: C/C/1=C\C[C@@H](CC/C(=C/CC/C(=C/CC1)/C)/C)C(=C)C
InChi : InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1
InChi Key : InChIKey=VWSPQDDPRITBAM-KPGNMOGWSA-N
PubChem ID : 5281384
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.884294
Hydrogen bond donor count : 0 Electric dipole moment : 0.644
XLogP : 7.373 VDW volume : 331.573858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.109000
Herb list :
Refrences & Litretures:
  
743.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'11'      DOI:''      Title:'Antioxidant and antibacterial activities of the essential oils and extracts of Dorema ammoniacum roots and aerial parts'
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