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1-Methoxy-4,4alpha,5,6,7,8-hexahydro-2(3H)-naphthalenone
PHCD compound ID : 2972
Chemical Names :
1-Methoxy-4,4alpha,5,6,7,8-hexahydro-2(3H)-naphthalenone
Molecular Formula : C11H16O2
Molecular Weight : 180.11503
More Details :
Names & Synonyms:
Smiles: OCC1=C2CCCC[C@@H]2CCC1=O
InChi : InChI=1S/C11H16O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h8,12H,1-7H2/t8-/m1/s1
InChi Key : InChIKey=YEIKAVQVKZUNML-MRVPVSSYSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.852380
Hydrogen bond donor count : 1 Electric dipole moment : 4.587
XLogP : 1.638 VDW volume : 186.406908
Molecular weight : 180.11503 HOMO-LUMO gap : 9.749000
Herb list :
Refrences & Litretures:
  
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
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