Skip Navigation Links
ScientificNameLabel
Geosmin
PHCD compound ID : 1329
Chemical Names :
Geosmin
Molecular Formula : C12H22O1
Molecular Weight : 182.167065
More Details :
Names & Synonyms: (4S,4aS,8aR)-4,8a-dimethyldecalin-4a-ol , (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
Smiles: C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C
InChi : InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1
InChi Key : InChIKey=JLPUXFOGCDVKGO-TUAOUCFPSA-N
PubChem ID : 29746
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.781486
Hydrogen bond donor count : 1 Electric dipole moment : 1.518
XLogP : 3.322 VDW volume : 200.185584
Molecular weight : 182.167065 HOMO-LUMO gap : 13.031000
Herb list :
Refrences & Litretures:
  
142.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2013'      Volume:'12'      Page:'367'      DOI:''      Title:'Effect of Laurus nobilis L. Essential Oil and its Main Components on ?-glucosidase and Reactive Oxygen Species Scavenging Activity'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us