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ScientificNameLabel
Manool
PHCD compound ID : 1066
Chemical Names :
Manool
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms: (3R)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-1-en-3-ol , (3R)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-1-penten-3-ol , (3R)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol , (3R)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-1-en-3-ol
Smiles: C=C[C@@](CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C
InChi : InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19-,20+/m0/s1
InChi Key : InChIKey=CECREIRZLPLYDM-QGZVKYPTSA-N
PubChem ID : 3034394
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.527804
Hydrogen bond donor count : 1 Electric dipole moment : 2.716
XLogP : 7.244 VDW volume : 333.280543
Molecular weight : 290.260966 HOMO-LUMO gap : 10.439000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
776.      Journal:'International Journal of Agriculture and Crop Sciences'      Year:'2013'      Volume:'5'      Page:'828'      DOI:''      Title:'Comparison of Salvia sclarea L. Essential Oil Components in Wild and Field Population'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
852.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'542'      DOI:'10.1002/ffj.1468'      Title:'Composition of the essential oil of Salvia macrosiphon Boiss. from Iran'
853.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2005'      Volume:'8'      Page:'126'      DOI:'10.1080/0972060X.2005.10643431'      Title:'Essential oil Composition of Salvia macrosiphon Boiss. From Iran'
939.      Journal:'Cellular and Molecular Biology'      Year:'2017'      Volume:'63'      Page:'1'      DOI:'10.14715/cmb/2017.63.9.1'      Title:'Bioactive chemical compounds in Eremurus persicus (Joub. & Spach) Boiss. essential oil and their health implications'
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