Molecule

ID:6292

General Information

Structure

Molecular Formula

C₁₄H₁₈O₄

Molecular Mass

250.29032

Exact Mass

250.12050906

Charge

InChI

InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

InChIKey

SOECUQMRSRVZQQ-UHFFFAOYSA-N

Canonic Smiles

COC1=C(OC)C(=O)C(=C(C1=O)CC=C(C)C)C

Isomeric Smiles

C1(=O)C(=C(OC)C(=O)C(=C1CC=C(C)C)C)OC

Calculated Properties

JChem

LogD (pH = 7.4)

2.22

LogD (pH = 5.5)

2.22

Log P

2.22

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-4.72

Polar Surface Area

52.60

Polarizability

26.97

Molar Refractivity

72.38

LOG S

-3.18

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

ubiquinone-1

Synonyms

UBIQUINONE-12,3-Dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinoneUbiquinone-5Ubiquinone-1Coenzyme Q1Ubichinonmitoquinonescoenzymes Qmitochondrial ubiquinonesUbiquinonecoenzyme QQUbiquinonesCoQCoenzyme Qa ubiquinoneubiquinonesKoenzym QCoenzym Qmitochondrial ubiquinone2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dionecoenzyme Q5ubiquinone-1coenzyme Q1ubiquinone-12,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzo-1,4-quinone2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-1,4-benzoquinoneUBIQUINONE-1CoQ1ubiquinone Q1

IUPAC name

2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Names and Identifiers

Registration numbers

Properties

Safety Information

Personal Protective Equipment

Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

German water hazard class

Storage Temperature

-20°C

Product Information

Purity

≥95%

Properties

Related Proteins

Related Proteins

Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB08689

Drug information: experimental

Sigma Aldrich

C7956

Other Notes
Analog of coenzyme Q10 (not naturally occurring)
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. C7956.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Application
Coenzyme Q1 (CoQ1) is a 1 isoprenyl group (not naturally occurring) member of a family of ubiquinones that share a quinine chemical group but differ in the number of isoprenyl chemical subunits in their tail. The CoQ compounds are lipid soluble components of cell membranes where they perform multiple functions such as electron and proton transport. The most well studied CoQ compound is CoQ10. CoQ1 is frequently used in comparison studies on the effect of isoprenyl chain length on CoQ functions or distribution and to identify quinone reductases.

ChEBI

CHEBI:16389

Any benzoquinone derived from 2,3-dimethoxy-5-methylbenzoquinone; one of a group of naturally occurring homologues. The redox-active quinoid moiety usually carries a polyprenoid side chain at position 6, the number of isoprenoid units in which is species-specific. Ubiquinones are involved in the control of mitochondrial electron transport, and are also potent anti-oxidants.

CHEBI:46234

A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit.

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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