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ScientificNameLabel
cis-isoapiole
PHCD compound ID : 2843
Chemical Names :
cis-isoapiole , (Z)-isoapiole+dillapiole
Molecular Formula : C12H14O4
Molecular Weight : 222.089209
More Details :
Names & Synonyms: 4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
Smiles: C/C=C/c1cc(OC)c2c(c1OC)OCO2
InChi : InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4-6H,7H2,1-3H3/b5-4+
InChi Key : InChIKey=XKCIPTFOQRVXGG-SNAWJCMRSA-N
PubChem ID : 15559838
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.210677
Hydrogen bond donor count : 0 Electric dipole moment : 1.902
XLogP : 2.871 VDW volume : 205.110429
Molecular weight : 222.089209 HOMO-LUMO gap : 8.089000
Herb list :
Refrences & Litretures:
  
349.      Journal:'Psyche: A Journal of Entomology'      Year:'2014'      Volume:'2014'      Page:'1'      DOI:'10.1155/2014/424078'      Title:'Chemical Composition and Acaricidal Effects of Essential Oils of Foeniculum vulgare Mill. (Apiales: Apiaceae) and Lavandula angustifolia Miller (Lamiales: Lamiaceae) against Tetranychus urticae Koch (Acari: Tetranychidae)'
622.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'189'      DOI:'10.1080/10412905.2006.9699063'      Title:'Yield, Essential Oil Content and Composition of Coriandrum sativum Varieties (var. vulgare Alef and var. microcarpum DC.) Grown in Two Different Locations'
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