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ScientificNameLabel
(Z)-Falcarinol
PHCD compound ID : 2886
Chemical Names :
(Z)-Falcarinol
Molecular Formula : C17H24O1
Molecular Weight : 244.182715
More Details :
Names & Synonyms: (9E)-heptadeca-1,9-dien-4,6-diyn-3-ol , (9E)-3-heptadeca-1,9-dien-4,6-diynol
Smiles: CCCCCCC/C=C/CC#CC#C[C@@H](C=C)O
InChi : InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10+/t17-/m1/s1
InChi Key : InChIKey=UGJAEDFOKNAMQD-SXSDINLZSA-N
PubChem ID : 5353620
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.741027
Hydrogen bond donor count : 1 Electric dipole moment : 3.057
XLogP : 6.197 VDW volume : 295.559672
Molecular weight : 244.182715 HOMO-LUMO gap : 9.900000
Herb list :
Refrences & Litretures:
  
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
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