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ScientificNameLabel
Alpha-Chenopodiol
PHCD compound ID : 5192
Chemical Names :
Alpha-Chenopodiol
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (1R,2R,4aR,8aR)-2-(1-hydroxy-1-methyl-ethyl)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol , (1R,2R,4aR,8aR)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol , (1R,2R,4aR,8aR)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol , (1R,2R,4aR,8aR)-4a,8-dimethyl-2-(2-oxidanylpropan-2-yl)-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol
Smiles: CC1=CCC[C@]2([C@H]1[C@@H](O)[C@@H](CC2)C(O)(C)C)C
InChi : InChI=1S/C15H26O2/c1-10-6-5-8-15(4)9-7-11(14(2,3)17)13(16)12(10)15/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChi Key : InChIKey=LBZDGNDASDARLL-GUIRCDHDSA-N
PubChem ID : 12978158
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.818966
Hydrogen bond donor count : 2 Electric dipole moment : 4.009
XLogP : 3.551 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.503000
Herb list :
Refrences & Litretures:
  
821.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2018'      Volume:'21'      Page:'164'      DOI:'10.1080/0972060X.2018.1451394'      Title:'Evaluation of the Wound Healing Activity of Chenopodium botrys Leaves Essential Oil in Rats (A Short-Term Study)'
822.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2016'      Volume:'8'      Page:'1881'      DOI:''      Title:'Chemical Composition and Antibacterial Properties of Chenopodium botrys L. Essential Oil'
824.      Journal:'Macedonian pharmaceutical bulletin'      Year:'2014'      Volume:'60'      Page:'45'      DOI:''      Title:'Chemical composition of Chenopodium botrys L. (Chenopodiaceae) essential oil'
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