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303-98-0 molecular structure
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2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione

ChemBase ID: 164888
Molecular Formular: C24H34O4
Molecular Mass: 386.52436
Monoisotopic Mass: 386.24570957
SMILES and InChIs

SMILES:
C1(=C(C(=O)C(=C(C1=O)C)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)OC)OC
Canonical SMILES:
COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C
InChI:
InChI=1S/C24H34O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+
InChIKey:
XREILSQAXUAAHP-NXGXIAAHSA-N

Cite this record

CBID:164888 http://www.chembase.cn/molecule-164888.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
IUPAC Traditional name
2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
Synonyms
Coenzyme Q9
(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
Bio-Quinone Q10
CoQ10
Cosmesome Q 10
Ensorb
Kaneka Q10
Kudesan
Li-Q-Sorb
Liquid-Q
NSC 140865
Neuquinon
Neuquinone
PureSorb Q 40
Q-Gel
Q-Gel 100
Ubidecarenone
Ubiquinone 10
Ubiquinone Q10
Unispheres Q 10
Vitamin Q
Coenzyme Q10
(all-E)-2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione
CoQ9
NSC 226993
Ubiquinone 45
Ubiquinone 9
Ubiquinone Q9
CAS Number
303-98-0
303-97-9
PubChem SID
162259022
PubChem CID
6440937

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6440937 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5381284  LogD (pH = 7.4) 5.5381284 
Log P 5.5381284  Molar Refractivity 119.987 cm3
Polarizability 44.53173 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow-Orange Solid expand Show data source
Melting Point
41-43°C expand Show data source
48-50°C expand Show data source
Storage Condition
Amber Vial, -20°C Freezer expand Show data source
Amber Vial, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C636500 external link
Antibacterial and antioxidant for preventing and treating cancer.
Toronto Research Chemicals - C636501 external link
Antibacterial and antioxidant for preventing and treating cancer.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Itoh, K., et al.: J. Immunol., 170, 3688 (2003)
  • • Liu, A., et al.: J. Biol. Chem., 279, 53196 (2003)
  • • Wullaert, A., et al.: Biochem. Pharmacol., 72, 1090 (2003)
  • • Trumpower, B.L., et al.: J. Bioenerget. Biomembr., 13,1 (1981)
  • • Inatsu, S., et al.: Antimicrob. Agents Chemother., 50, 2237 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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