Showing Metabocard for QH(2) (BASm0001144)

Common NameQh(2)
DescriptionQh(2) is part of the Oxidative phosphorylation, Cardiac muscle contraction, Alzheimer's disease, Parkinson's disease, and Huntington's disease pathways. It is a substrate for: Cytochrome b-c1 complex subunit Rieske, mitochondrial.
Structure
Molecular FormulaC14H20O4
Average Mass252.30620
Monoisotopic Mass252.13616
IUPAC Name2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol
Traditional Name2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)benzene-1,4-diol
CAS Registry NumberNot Available
SMILESCOc1c(O)c(C)c(CC=C(C)C)c(O)c1OC
InChI IdentifierInChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6,15-16H,7H2,1-5H3
InChI KeyTVLSKGDBUQMDPR-UHFFFAOYSA-N
CHEBI IDCHEBI:17976
HMDB IDHMDB0059661
Pathways
NameSMPDB/PathBank
Citric Acid Cycle
Congenital lactic acidosis
Fumarase deficiency
Mitochondrial complex II deficiency
2-ketoglutarate dehydrogenase complex deficiency
Pyruvate dehydrogenase deficiency (E3)
Pyruvate dehydrogenase deficiency (E2)
Warburg Effect
The oncogenic action of 2-hydroxyglutarate
The oncogenic action of L-2-hydroxyglutarate in Hydroxygluaricaciduria
The oncogenic action of D-2-hydroxyglutarate in Hydroxygluaricaciduria
StateSolid
Water Solubility3.06e-01 g/l
logP2.70
logS-2.92
pKa (Strongest Acidic)10.27
pKa (Strongest Basic)-4.66
Hydrogen Acceptor Count4
Hydrogen Donor Count2
Polar Surface Area58.92 Ų
Rotatable Bond Count4
Physiological Charge0
Formal Charge0
Refractivity72.23 m³·mol⁻¹
Polarizability27.92

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