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ScientificNameLabel
cis-carvone oxide
PHCD compound ID : 3119
Chemical Names :
cis-carvone oxide
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: (1S,3R,6S)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptan-5-one , (1S,3R,6S)-6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-5-one , (1S,3R,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-5-one
Smiles: CC(=C)[C@H]1CC(=O)[C@@]2([C@H](C1)O2)C
InChi : InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m0/s1
InChi Key : InChIKey=YGMNGQDLUQECTO-UJNFCWOMSA-N
PubChem ID : 11030188
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.049226
Hydrogen bond donor count : 0 Electric dipole moment : 2.932
XLogP : 0.812 VDW volume : 169.110924
Molecular weight : 166.09938 HOMO-LUMO gap : 10.383000
Herb list :
Refrences & Litretures:
  
418.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'57'      DOI:'10.1021/jf0487351'      Title:'Antibacterial Activity of Cuminum cyminum L. and Carum carvi L. Essential Oils'
419.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'8848'      DOI:'10.1021/jf101645n'      Title:'Antioxidant and Hepatoprotective Potential of Essential Oils of Coriander (Coriandrum sativum L.) and Caraway (Carum carvi L.) (Apiaceae)'
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