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ScientificNameLabel
Carvotanacetone
PHCD compound ID : 421
Chemical Names :
(R)-2-Cyclohexane 1-on,2-methyl-5-(1-methylethenyl) , 2-Cyclohexen-1-one,2-methyl-5-(1-methylethenyl) , Carvotanacetone
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (5R)-5-isopropyl-2-methyl-cyclohex-2-en-1-one , (5R)-2-methyl-5-propan-2-yl-1-cyclohex-2-enone , (5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one , (5R)-2-methyl-5-propan-2-yl-cyclohex-2-en-1-one
Smiles: CC([C@@H]1CC=C(C(=O)C1)C)C
InChi : InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
InChi Key : InChIKey=WPGPCDVQHXOMQP-SECBINFHSA-N
PubChem ID : 10888107
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.844894
Hydrogen bond donor count : 0 Electric dipole moment : 3.591
XLogP : 2.572 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.852000
Herb list :
Refrences & Litretures:
  
24.      Journal:'J. Iran. Chem. Soc'      Year:'2010'      Volume:'7'      Page:'216'      DOI:''      Title:'Chemical Composition and In vitro Antioxidant and Antidiabetic Activities of Eucalyptus Camaldulensis Dehnh. Essential Oil'
202.      Journal:'Biotech Health Sci'      Year:'2015'      Volume:'2'      Page:'e26797'      DOI:'10.17795/bhs-26797'      Title:'Biological Properties of Vitex agnus-castus Essential Oil (Phytochemical Component, Antioxidant and Antifungal Activity)'
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
692.      Journal:'Rev. Bras. Pl. Med'      Year:'2013'      Volume:'15'      Page:'438'      DOI:''      Title:'Chemical composition of sage (Salvia offcinalis L.) essential oil from the Rio de Janeiro State (Brazil)'
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