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ScientificNameLabel
Hedicaryol
PHCD compound ID : 915
Chemical Names :
Hedicaryol , Hedycariol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2-[(3Z,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol , 2-[(3Z,7E)-4,8-dimethyl-1-cyclodeca-3,7-dienyl]-2-propanol
Smiles: CC1=CCCC(=CC[C@H](CC1)C(O)(C)C)C
InChi : InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6+,13-9-/t14-/m0/s1
InChi Key : InChIKey=SDMLCXJKAYFHQM-XHUXJQKKSA-N
PubChem ID : 21768605
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.959659
Hydrogen bond donor count : 1 Electric dipole moment : 1.862
XLogP : 4.191 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.329000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
647.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2003'      Volume:'2'      Page:'245'      DOI:''      Title:'Composition of the Essential Oil of the Root of Heracleum persicum from Iran'
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