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ScientificNameLabel
Dimyrcene I-a
PHCD compound ID : 5368
Chemical Names :
Dimyrcene I-a
Molecular Formula : C20H34
Molecular Weight : 274.266051
More Details :
Names & Synonyms: 1,4-bis(4-methylpent-3-enyl)-1-vinyl-cyclohexane , 1-ethenyl-1,4-bis(4-methylpent-3-enyl)cyclohexane
Smiles: C=C[C@]1(CCC=C(C)C)CC[C@H](CC1)CCC=C(C)C
InChi : InChI=1S/C20H34/c1-6-20(14-8-10-18(4)5)15-12-19(13-16-20)11-7-9-17(2)3/h6,9-10,19H,1,7-8,11-16H2,2-5H3/t19-,20+
InChi Key : InChIKey=ILNRJDGFLRCSOE-BGYRXZFFSA-N
PubChem ID : 91749730
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.161963
Hydrogen bond donor count : 0 Electric dipole moment : 1.315
XLogP : 8.895 VDW volume : 334.210316
Molecular weight : 274.266051 HOMO-LUMO gap : 10.358000
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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