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ScientificNameLabel
Gamma–Cadinene
PHCD compound ID : 3120
Chemical Names :
Gamma–Cadinene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4aR,8aR)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , (1S,4aR,8aR)-7-methyl-4-methylene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , (1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Smiles: CC1=C[C@@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=WRHGORWNJGOVQY-KKUMJFAQSA-N
PubChem ID : 6432404
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.154921
Hydrogen bond donor count : 0 Electric dipole moment : 0.825
XLogP : 5.942 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.484000
Herb list :
Refrences & Litretures:
  
424.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'27'      DOI:'10.7324/JAPS.2014.40205'      Title:'Renoprotective effects of Caraway (Carum carvi L.) essential oil in streptozotocin induced diabetic rats'
917.      Journal:'International Letters of Chemistry, Physics and Astronomy'      Year:'2013'      Volume:'13'      Page:'210'      DOI:'10.18052/www.scipress.com/ILCPA.13.210'      Title:'Chemical composition of Marrubium vulgare L. essential oil from Algeria'
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