Structure database (LMSD)

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LM IDLMPR02010037
Common NamePlastoquinol-1
Systematic Name2,3-dimethyl-5-(3-methylbut-2-enyl)-benzene-1,4-diol
SynonymsPQ-1
Exact Mass
206.1307 (neutral)    Calculate m/z:
FormulaC13H18O2
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassUbiquinones [PR0201]
PubChem CID24892729
KEGG IDC02185
CHEBI ID16323
InChIKeyWKFUDLTXRQQGHB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C13H18O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7,14-15H,6H2,1-4H3
SMILESC1(=CC(=C(C(C)=C1O)C)O)C/C=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings1Rotatable Bonds2
 van der Waals
Molecular Volume
217.22Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.22Molar
Refractivity
62.38