Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110443 |
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Identification |
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Name: |
6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol |
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Description: | A polyprenylhydroquinone in which the polyprenyl substituent is octaprenyl at C-3; methoxy and methyl groups are also present at C-5 and C-2 respectively. |
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Structure |
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Synonyms: | -
2-octaprenyl-3-methyl-6-methoxy-1,4-benzenediol
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6-methoxy-3-methyl-2-octaprenylquinol
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2-octaprenyl-3-methyl-6-methoxyhydroquinone
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2-octaprenyl-3-methyl-6-methoxyquinol
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Chemical Formula: |
C48H74O3
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Average Molecular Weight: |
699.11 |
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Monoisotopic Molecular
Weight: |
698.5637962417 |
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InChI Key: |
HDSGDGSLNMIMKU-KFSSTAEESA-N |
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InChI: |
InChI=1S/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+ |
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CAS
number: |
Not Available |
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IUPAC Name: | 5-methoxy-2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,4-diol |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C)C)C |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as polyprenyl quinols. These are compounds containing a polyisoprene chain attached to a quinol(hydroquinone) at the second ring position. |
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Kingdom |
Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class |
Prenol lipids |
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Sub Class | Quinone and hydroquinone lipids |
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Direct Parent |
Polyprenyl quinols |
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Alternative Parents |
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Substituents |
- Tetraterpenoid
- 2-polyprenyl-6-methoxyphenol
- Polyprenylbenzoquinol
- Polyprenylphenol
- Methoxyphenol
- Anisole
- Hydroquinone
- M-cresol
- Phenoxy compound
- O-cresol
- Phenol ether
- Methoxybenzene
- Alkyl aryl ether
- Phenol
- 1-hydroxy-2-unsubstituted benzenoid
- Toluene
- Monocyclic benzene moiety
- Benzenoid
- Ether
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework |
Aromatic homomonocyclic compounds |
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External Descriptors |
- a 6-methoxy-3-methyl-2-\u003ci\u003eall-trans\u003c/i\u003e-polyprenyl-1,4-benzoquinol (OCTAPRENYL-METHYL-METHOXY-BENZQ)
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Physical Properties |
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State: |
Not Available |
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Charge: | 0 |
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Melting point: |
Not Available |
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Experimental Properties: |
Not Available |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
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Spectra |
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Spectra: |
Not Available |
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References |
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References: |
Not Available |
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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