General Information of the Compound
| Compound ID |
CP0046612
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| Compound Name |
CHEBI:31687
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| Synonyms |
2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-
2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
58186-27-9
6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone
AK161748
BRN 2001459
CHEBI:31687
CV 2619
CV-2619
HB6PN45W4J
Idebenona
Idebenona [Spanish]
Idebenone
Idebenone [INN:JAN]
Idebenonum
Idebenonum [Latin]
JGPMMRGNQUBGND-UHFFFAOYSA-N
NCGC00160514-01
UNII-HB6PN45W4J
idebenone
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| Structure |
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| Formula |
C19H30O5
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| Molecular Weight |
338.444
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| Canonical SMILES |
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
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| InChI |
InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
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| InChIKey |
JGPMMRGNQUBGND-UHFFFAOYSA-N
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| CAS |
58186-27-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4
Clinical Information about the Compound