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ScientificNameLabel
Cederone S
PHCD compound ID : 4655
Chemical Names :
Cederone S
Molecular Formula : C15H18O3
Molecular Weight : 246.125594
More Details :
Names & Synonyms:
Smiles: CC1=CCC[C@@]2(C)O[C@@H]2C(=O)c2c(C1)occ2C
InChi : InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5-/t14-,15-/m1/s1
InChi Key : InChIKey=CVIVANCKIBYAOP-LGIYYPAKSA-N
PubChem ID : 90656882
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.337828
Hydrogen bond donor count : 0 Electric dipole moment : 4.780
XLogP : 1.748 VDW volume : 235.851697
Molecular weight : 246.125594 HOMO-LUMO gap : 9.135000
Herb list :
Refrences & Litretures:
  
735.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'784'      DOI:''      Title:'Chemical composition and antioxidant activity of the essential oil and the methanol extract of Algerian wild carrot Daucus carota L. ssp. carota. (L.) Thell'
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