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Record Information
StatusExpected but not Quantified
Creation Date2012-09-11 17:52:19 UTC
Update Date2019-07-23 06:11:58 UTC
Secondary Accession Numbers
  • HMDB32861
Metabolite Identification
Common Name2-Methoxynaphthalene
DescriptionArabinogalactan is found in soy bean. Emulsifier, stabiliser Approximately one of the three arabinosyl chains attached to the galactan chain contains succinyl groups. Although one succinyl group is most common, up to three succinyl groups per released arabinan fragment can be found on oligo-arabinans. However, arabinan fragments substituted with GalNH2 are not succinylated. Importantly, in the case of M. tuberculosis, and most likely in all slow growers, both positive charge (protonated GalNH2 as GalNH3+) and negative charge (succinyl) are present in the middle regions of the arabinan, specifically at O-2 of the inner 3,5- -D-Araf units. The succinyl residues are on the non-mycolylated chain. Recently a complete primary model of arabinogalactan has been proposed. Arabinogalactan is a biopolymer consisting of arabinose and galactose monosaccharides. Two classes of arabinogalctans are found in nature: plant arabinogalactan and microbial arabinogalactan. In plants, it is a major constituents of many gums, including gum arabic, gum gutti and so on. It occasionally attached to proteins and the resulted proteoglycan functions as signaling molecules betweens cells as well as glue to seal wounded part of plants. The microbial arabinogalactan is a major structural component of the mycobacterial cell wall. Both the arabinose and galactose are solely in the furanose configuration. The galactan portion of the microbial arabinogalactan is linear, consisting of approximately 30 units with alternating -(1-5) and -(1-6) glycosidic linkages. The arabinan chain, which consist of about 30 residues, are attached at three branch points within the galactan chain (believed to be at residues 8, 10 and 12).The arabinan portion of the polymer is a complex branched structure, usually capped with mycolic acids. The arabinan glycosidic linkages are -(1-3), -(1-5), and -(1-2). The non-reducing end of arabinogalactan is covalently attached to the mycolic acids of the outer membrane. The hydrophobicity of mycolic acids is a barrier to drug entry. Additionally, the mycolyl arabinogalactan peptidiglycan is responsible for aspects of disease pathogenesis and much of the antibody response in infections. The mycolyl substituents are selectively and equally distributed on the 5-hydroxyl functions of terminal- and the penultimate 2-linked Araf residues. The mycolyl residues are clustered in groups of four on the non reducing terminal pentaarabinosyl unit ( -Araf-(1 2)- -Araf)2-3,5- -Araf. Thus, the major part (66%) of the pentaarabinosyl units are substituted by mycolic acids, leaving the unsubstituted minor region (33%), that is available for interaction with the immune system.
2-Naphthol methyl etherHMDB
2-Naphthyl methyl etherHMDB
b-Naphthyl methyl etherHMDB
beta -MethoxynaphthaleneHMDB
beta -Naphthol methyl etherHMDB
beta -Naphthyl methyl etherHMDB
beta-Naphthol mether etherHMDB
beta-Naphthol methyl etherHMDB
beta-Naphthyl methyl etherHMDB
Jara jaraHMDB
Methyl 2-naphthyl etherHMDB
Methyl beta -naphthyl etherHMDB
Methyl beta-naphthyl etherHMDB
Nerolin yara yaraHMDB
Yara yaraHMDB
Yura yaraHMDB
Chemical FormulaC11H10O
Average Molecular Weight158.1965
Monoisotopic Molecular Weight158.073164942
IUPAC Name2-methoxynaphthalene
Traditional Namenaphthalene, 2-methoxy-
CAS Registry Number93-04-9
InChI Identifier
Chemical Taxonomy
Description belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
Sub ClassNot Available
Direct ParentNaphthalenes
Alternative Parents
  • Naphthalene
  • Anisole
  • Alkyl aryl ether
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available

Route of exposure:

Biological location:



Biological role:

Physical Properties
Experimental Properties
Melting Point72 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP3.47Not Available
Predicted Properties
Water Solubility0.065 g/LALOGPS
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity48.97 m³·mol⁻¹ChemAxon
Polarizability17.62 ųChemAxon
Number of Rings2ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0aor-1900000000-1c20535f4a69bcfc204dSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0aor-2900000000-84b3e0628bd2f527ae1bSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0aor-1900000000-1c20535f4a69bcfc204dSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0aor-2900000000-84b3e0628bd2f527ae1bSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-0900000000-ccf8c9adde7dafebe859Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-b1ad72aed00419e872cdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0900000000-6482b5288c37c635e9faSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0fbc-0900000000-67946d6a51ce2f911531Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0900000000-7f5929f25f4a347a587fSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-ad2ccbae645853cd88b6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-99f2122554947d468964Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB020188
KNApSAcK IDNot Available
Chemspider ID6852
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkΒ-Naphthol methyl ether
METLIN IDNot Available
PubChem Compound7119
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB ID
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .