2-(Hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
PubChem CID: 380510
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| Compound Synonyms | 4-Methoxyphenyl hexopyranoside, NSC666125, 4-Methoxyphenyl b-D-glucopyranoside, 4-Methoxyphenyl b-D-galactopyranoside, MFCD06797126, MFCD06797143, 4-Methoxyphenyl, A-D-galactopyranoside, CHEMBL1969163, SCHEMBL14120108, 2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol, DTXSID70871921, 4-Methoxyphenylalpha-D-Mannopyranoside, NSC-666125, LS-14232, NCI60_022945, SY067243, SY067411, A832690, 2-(hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Description | Methylarbutin is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Methylarbutin is soluble (in water) and a very weakly acidic compound (based on its pKa). Methylarbutin can be found in sweet marjoram, which makes methylarbutin a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | -0.7 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C13H18O7 |
| Inchi Key | SIXFVXJMCGPTRB-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4-Methoxyphenyl b-D-glucopyranoside, 4-Methoxyphenyl beta-D-glucopyranoside, 4-Methoxyphenylglucoside, beta-D-Glucopyranoside, 4-methoxyphenyl, Methylarbutin, Methylarbutoside, P-methoxyphenyl beta-d-glucopyranoside |
| Compound Name | 2-(Hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol |
| Kingdom | Organic compounds |
| Exact Mass | 286.105 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 286.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3 |
| Smiles | COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenolic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:fooddb_chem_all