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ScientificNameLabel
(Z)-alpha-Atlantone
PHCD compound ID : 352
Chemical Names :
(Z)-alpha-Atlantone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (5Z)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,5-dien-4-one , (5Z)-2-methyl-6-[(1R)-4-methyl-1-cyclohex-3-enyl]-4-hepta-2,5-dienone
Smiles: CC(=CC(=O)/C=C(\[C@@H]1CCC(=CC1)C)/C)C
InChi : InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10-/t14-/m0/s1
InChi Key : InChIKey=OJEFBZMKKJTKKK-ZVHGMHCTSA-N
PubChem ID : 12299867
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.000715
Hydrogen bond donor count : 0 Electric dipole moment : 2.262
XLogP : 3.779 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.091000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
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