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ScientificNameLabel
Preisocalamendiol
PHCD compound ID : 496
Chemical Names :
Preisocalamendiol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (2S,5Z)-2-isopropyl-5-methyl-9-methylene-cyclodec-5-en-1-one , (2S,5Z)-5-methyl-9-methylene-2-propan-2-yl-1-cyclodec-5-enone , (2S,5Z)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one , (2S,5Z)-5-methyl-9-methylidene-2-propan-2-yl-cyclodec-5-en-1-one
Smiles: C=C1CCC=C(C)CC[C@H](C(=O)C1)C(C)C
InChi : InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6-/t14-/m0/s1
InChi Key : InChIKey=QTFJNWQFKJITEE-ZDWRTJATSA-N
PubChem ID : 12305705
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.327637
Hydrogen bond donor count : 0 Electric dipole moment : 3.076
XLogP : 3.892 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.157000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
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