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ScientificNameLabel
Caryophylla 2(12),6(13)diene-5one
PHCD compound ID : 762
Chemical Names :
Caryophylla 2(12),6(13)diene-5one
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: 11,11-dimethyl-4,8-dimethylene-bicyclo[7.2.0]undecan-5-one , 11,11-dimethyl-4,8-dimethylene-5-bicyclo[7.2.0]undecanone , 11,11-dimethyl-4,8-dimethylidenebicyclo[7.2.0]undecan-5-one , 11,11-dimethyl-4,8-dimethylidene-bicyclo[7.2.0]undecan-5-one
Smiles: C=C1CC[C@H]2[C@H](C(=C)CCC1=O)CC2(C)C
InChi : InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-13H,1-2,5-9H2,3-4H3/t12-,13-/m0/s1
InChi Key : InChIKey=ZZHHIRFCRIFTAN-STQMWFEESA-N
PubChem ID : 15825504
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.647183
Hydrogen bond donor count : 0 Electric dipole moment : 3.182
XLogP : 4.116 VDW volume : 244.164161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.973000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
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