Coenzyme Q10

Details

• Internal ID: 581b18a5-c47d-46d3-82bc-2eab95afeae7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones > Ubiquinones
• IUPAC Name: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• InChI: InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
• InChI Key: ACTIUHUUMQJHFO-UPTCCGCDSA-N
• Popularity: 17,826 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₉H₉₀O₄
• Molecular Weight: 863.30 g/mol
• Exact Mass: 862.68391135 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 19.40
• Atomic LogP (AlogP): 17.85
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Rotatable Bonds: 31

Synonyms

• ubidecarenone
• 303-98-0
• ubiquinone-10
• CoQ10
• Ubiquinone 50
• Neuquinon
• Ubiquinone 10
• Emitolon
• Heartcin
• Inokiten
• Justquinon
• Neuquinone
• Ubiquinone Q10
• Udekinon
• Terekol
• Ubiquinone
• Coenzyme Q-10
• Bio-Quinone Q10
• Luvacor
• Coenzyme Q
• Vitamin Q
• coenzyme-Q10
• Unispheres Q 10
• co-enzyme Q10
• Coenzyme Q 10
• Ubidecarenona
• Ubidecarenonum
• PureSorb Q 40
• Adelir
• CoQ 10
• Oristar ubq
• Aqua Q10
• CoQ(sub 10)
• Ubiquinone Q(sub 10)
• CoenzymeQ10
• Co-enzyme Q-10
• API-31510
• Q 199
• Ubidecarenonum [Latin]
• CCRIS 9016
• NSC 140865
• Co Q10
• EINECS 206-147-9
• ubiquinone(10)
• BPM-31510
• all-trans-ubiquinone
• Bpm31510
• Ube-Q
• NSC-140865
• UNII-EJ27X76M46
• Coenzyme q-199
• DTXSID6046054
• CHEBI:46245
• EJ27X76M46
• Ubidecarenone for system suitability
• API 31510
• 2-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• NSC-140665
• Q 10AA
• DTXCID4026054
• NSC140865
• (all-E)-2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-2,5-Cyclohexadiene-1,4-dione
• NCGC00159429-02
• Ubidecarenonum (Latin)
• 2,5-Cyclohexadiene-1,4-dione, 2-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl
• 2,5-Cyclohexadiene-1,4-dione, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-, (all-E)-
• 2-((all-E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-p-benzoquinone
• 2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-p-benzoquinone
• 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• p-Benzoquinone, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-
• UBIDECARENONE (MART.)
• UBIDECARENONE [MART.]
• UBIDECARENONE (USP-RS)
• UBIDECARENONE [USP-RS]
• Bio-Quinon
• Coenzyme Q(sub 10)
• Ubidecarenona [Spanish]
• UBIDECARENONE (EP MONOGRAPH)
• UBIDECARENONE [EP MONOGRAPH]
• 2-DECA(3-METHYLBUT-2-ENYLENE)-5,6-DIMETHOXY-3-METHYL-P-BENZOQUINONE
• 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• CAS-303-98-0
• Q10
• CoQ10;Ubiquinone-10
• UBIDECARENONE FOR SYSTEM SUITABILITY (USP-RS)
• UBIDECARENONE FOR SYSTEM SUITABILITY [USP-RS]
• unbiquinone
• Armolipid
• Kudesan
• Mitocor
• Akvion
• Liquid-Q
• Ubiquinone-Q10
• Ubidecarenone [INN:BAN:JAN:NF]
• NCGC00095322-03
• vitamin Q10
• KanekaQ10
• 2,5-Cyclohexadiene-1,4-dione, 2-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-
• 2-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• Li-Q-Sorb
• Q-Gel
• Adelir (TN)
• Coenzymeq10,(S)
• Kaneka Q10
• MFCD00042919
• BP31510
• UBIQUINONE [INCI]
• CoQ10; Ubiquinone-10
• Coenzyme Q10(CoQ10)
• Aqua Q 10L10
• UBIDECARENONE [DSC]
• UBIDECARENONE [INN]
• UBIDECARENONE [JAN]
• CoQ10 200mg
• 2,3-dimethoxy-5-methyl-6-decaprenylbenzoquinone
• Co-Q10
• Ubidecarenone (JP17/INN)
• Q-Gel 100
• SCHEMBL19858
• MLS000028745
• UBIQUINONE 50 [MI]
• COENZYME Q10 [VANDF]
• UBIDECARENONE [WHO-DD]
• CHEMBL454801
• SCHEMBL11901691
• C01EB09
• CO Q 10
• EX-A973
• Coenzyme Q10, analytical standard
• HY-N0111
• Tox21_111660
• Tox21_113394
• LMPR02010001
• s2398
• Coenzyme Q10, >=98% (HPLC)
• AKOS015897104
• AKOS015951232
• AC-4352
• DB09270
• NCGC00159429-13
• 2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-tetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl)-5,6-dimethoxy-3-methyl-[1,4]benzoquinone
• 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-DECAMETHYL-2,6,10,14,18,22,26,30,34,38-TETRACONTADECAEN-1-YL]-5,6-DIMETHOXY-3-METHYL-2,5-CYCLOHEXADIENE-1,4-DIONE
• AS-13341
• LS-15517
• Q 10
• SMR000058651
• C1971
• CS-0007796
• C-7060
• D01065
• A936217
• EN300-21680292
• Q321285
• Ubidecarenone, European Pharmacopoeia (EP) Reference Standard
• Ubidecarenone, United States Pharmacopeia (USP) Reference Standard
• Ubidecarenone for system suitability, European Pharmacopoeia (EP) Reference Standard
• Ubidecarenone for System Suitability, United States Pharmacopeia (USP) Reference Standard
• (all-E)-2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-2,5-Cyclohexadiene-1,4-dione
• 2,4-dione, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-
• 2,4-dione, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-, (all-E)-
• 2,5-Cyclohexadiene-1,4-dione, 2-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaen-1-yl)-5,6-dimethoxy-3-methyl-
• 2,5-Cyclohexadiene-1,4-dione, 2-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-, (all trans)-
• 2-((all-E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione
• 2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-p-benzoquinone, (all trans)-
• 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl]-5,6-dimethoxy-3-methyl- 2,5-Cyclohexadiene-1,4-dione
• 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl]-5,6-dimethoxy-3-methylbenzo-1,4-quinone #
• p-Benzoquinone,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9906	99.06%
Caco-2	-	0.8261	82.61%
Blood Brain Barrier	+	0.5750	57.50%
Human oral bioavailability	+	0.6143	61.43%
Subcellular localzation	Mitochondria	0.8577	85.77%
OATP2B1 inhibitior	-	0.7125	71.25%
OATP1B1 inhibitior	+	0.9305	93.05%
OATP1B3 inhibitior	+	0.9480	94.80%
MATE1 inhibitior	-	0.6600	66.00%
OCT2 inhibitior	-	0.6500	65.00%
BSEP inhibitior	+	0.9914	99.14%
P-glycoprotein inhibitior	+	0.7915	79.15%
P-glycoprotein substrate	-	0.9171	91.71%
CYP3A4 substrate	-	0.5066	50.66%
CYP2C9 substrate	-	0.7821	78.21%
CYP2D6 substrate	-	0.8429	84.29%
CYP3A4 inhibition	-	0.8308	83.08%
CYP2C9 inhibition	-	0.8028	80.28%
CYP2C19 inhibition	-	0.6101	61.01%
CYP2D6 inhibition	-	0.8778	87.78%
CYP1A2 inhibition	-	0.7625	76.25%
CYP2C8 inhibition	-	0.9354	93.54%
CYP inhibitory promiscuity	-	0.8407	84.07%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.7714	77.14%
Carcinogenicity (trinary)	Non-required	0.6448	64.48%
Eye corrosion	-	0.9658	96.58%
Eye irritation	-	0.8989	89.89%
Skin irritation	-	0.6930	69.30%
Skin corrosion	-	0.9842	98.42%
Ames mutagenesis	-	0.8500	85.00%
Human Ether-a-go-go-Related Gene inhibition	+	0.8190	81.90%
Micronuclear	-	0.8600	86.00%
Hepatotoxicity	-	0.5421	54.21%
skin sensitisation	-	0.6973	69.73%
Respiratory toxicity	+	0.5333	53.33%
Reproductive toxicity	-	0.5830	58.30%
Mitochondrial toxicity	-	0.8500	85.00%
Nephrotoxicity	+	0.5803	58.03%
Acute Oral Toxicity (c)	III	0.7807	78.07%
Estrogen receptor binding	+	0.7962	79.62%
Androgen receptor binding	+	0.5539	55.39%
Thyroid receptor binding	-	0.8319	83.19%
Glucocorticoid receptor binding	+	0.7070	70.70%
Aromatase binding	-	0.8514	85.14%
PPAR gamma	+	0.6513	65.13%
Honey bee toxicity	-	0.8514	85.14%
Biodegradation	-	0.8500	85.00%
Crustacea aquatic toxicity	-	0.5700	57.00%
Fish aquatic toxicity	+	0.9922	99.22%

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293235	P02545	Prelamin-A/C	11.2 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	94.04%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.14%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	91.99%	94.73%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.64%	92.08%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.54%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.00%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.56%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.21%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.66%	99.23%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.32%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.34%	96.95%

Plants that contains it

• Calendula officinalis
• Hevea brasiliensis

Cross-Links

• PubChem: 5281915
• LOTUS: LTS0103893
• wikiData: Q321285