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ScientificNameLabel
Beta-Atlantol
PHCD compound ID : 4204
Chemical Names :
Beta-Atlantol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hepta-1,5-dien-4-ol , 6-methyl-2-(4-methyl-1-cyclohex-3-enyl)-4-hepta-1,5-dienol
Smiles: CC(=C[C@H](CC(=C)[C@H]1CCC(=CC1)C)O)C
InChi : InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14-16H,4,6-8,10H2,1-3H3/t14-,15-/m1/s1
InChi Key : InChIKey=HGURSBWDVNEOKP-HUUCEWRRSA-N
PubChem ID : 91710334
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.292291
Hydrogen bond donor count : 1 Electric dipole moment : 1.944
XLogP : 3.732 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.203000
Herb list :
Refrences & Litretures:
  
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
907.      Journal:'Chem. Biodiversity'      Year:'2017'      Volume:'14'      Page:'e1700096'      DOI:'10.1002/cbdv.201700096'      Title:'Cytotoxic Essential Oils from Eryngium campestre and Eryngium amethystinum (Apiaceae) Growing in Central Italy'
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