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Compound: 5546
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cis-Lanceol
ScientificNameLabel
cis-Lanceol
PHCD compound ID :
1420
Chemical Names :
cis-Lanceol
Molecular Formula :
C15H24O1
Molecular Weight :
220.182715
More Details :
Names & Synonyms:
(2E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol , (2E)-2-methyl-6-(4-methyl-1-cyclohex-3-enyl)-1-hepta-2,6-dienol
Smiles:
OC/C(=C/CCC(=C)[C@H]1CCC(=CC1)C)/C
InChi :
InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5+/t15-/m1/s1
InChi Key :
InChIKey=HBVOEGGRCJCMLG-DTHCKZEYSA-N
PubChem ID :
6536796
Rotatable bond count :
5
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.237167
Hydrogen bond donor count :
1
Electric dipole moment :
1.473
XLogP :
3.67
VDW volume :
256.52062
Molecular weight :
220.182715
HOMO-LUMO gap :
10.027000
Herb list :
Common purslane - Portulaca oleracea - خرفه
Erio yarrow - Achillea eriophora - بومادران
Refrences & Litretures:
151. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'617' DOI:'10.1080/0972060X.2011.10643980' Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
312. Journal:'Talanta' Year:'2010' Volume:'81' Page:'129' DOI:'10.1016/j.talanta.2009.11.047' Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
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