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ScientificNameLabel
Beta-Atlantone
PHCD compound ID : 3536
Chemical Names :
Beta-Atlantone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: 6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one , 6-methyl-2-[(1R)-4-methyl-1-cyclohex-3-enyl]-4-hepta-1,5-dienone
Smiles: CC(=CC(=O)CC(=C)[C@@H]1CCC(=CC1)C)C
InChi : InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14H,4,6-8,10H2,1-3H3/t14-/m0/s1
InChi Key : InChIKey=LRDZCBICVMXPBB-AWEZNQCLSA-N
PubChem ID : 181580
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.239341
Hydrogen bond donor count : 0 Electric dipole moment : 3.625
XLogP : 3.648 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.439000
Herb list :
Refrences & Litretures:
  
493.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2008'      Volume:'11'      Page:'476'      DOI:'10.1080/0972060X.2008.10643656'      Title:'Composition and Antimicrobial Activity of the Essential Oils of Tanacetum balsamita L. subsp. balsamita and T. chiliophyllum (Fisch. et Mey.) Schultz Bip. var. chiliophyllum (Asteraceae) from Turkey'
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