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ScientificNameLabel
Dimyrcene II-a
PHCD compound ID : 5369
Chemical Names :
Dimyrcene II-a
Molecular Formula : C20H34
Molecular Weight : 274.266051
More Details :
Names & Synonyms: 1-(5-methyl-1-methylene-hex-4-enyl)-3-(4-methylpent-3-enyl)cyclohexane , 1-(6-methylhepta-1,5-dien-2-yl)-3-(4-methylpent-3-enyl)cyclohexane
Smiles: CC(=CCC[C@@H]1CCC[C@H](C1)C(=C)CCC=C(C)C)C
InChi : InChI=1S/C20H34/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,19-20H,5-8,11-15H2,1-4H3/t19-,20-/m1/s1
InChi Key : InChIKey=AIPIFXVDYDBWHE-WOJBJXKFSA-N
PubChem ID : 91749731
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.180993
Hydrogen bond donor count : 0 Electric dipole moment : 1.064
XLogP : 8.44 VDW volume : 334.210316
Molecular weight : 274.266051 HOMO-LUMO gap : 10.372000
Herb list :
Refrences & Litretures:
  
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
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