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ScientificNameLabel
D-Verbenone
PHCD compound ID : 4509
Chemical Names :
D-Verbenone
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one , (1R,5R)-2,6,6-trimethyl-4-bicyclo[3.1.1]hept-2-enone
Smiles: CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
InChi : InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
InChi Key : InChIKey=DCSCXTJOXBUFGB-SFYZADRCSA-N
PubChem ID : 65724
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.780492
Hydrogen bond donor count : 0 Electric dipole moment : 4.688
XLogP : 1.87 VDW volume : 160.320697
Molecular weight : 150.104465 HOMO-LUMO gap : 9.711000
Herb list :
Refrences & Litretures:
  
668.      Journal:'Food Chemistry'      Year:'2009'      Volume:'114'      Page:'1351'      DOI:'10.1016/j.foodchem.2008.11.033'      Title:'Apoptosis-mediated proliferation inhibition of human colon cancer cells by volatile principles of Citrus aurantifolia'
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