Blepharin
PubChem CID: 14605136
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| Compound Synonyms | Blepharin, 27625-86-1, 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one, (+)-Blepharin, HBOA-Glc, HBOA + O-Hex, CHEBI:169255, BCP31440, 2-beta-d-glucopyranosyloxy-1,4-benzoxazin-3-one, Blepharin, (2R)-2-O-beta-D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one, 2-(beta-D-Glucopyranosyloxy)-2H-1,4-benzoxazin-3(4H)-one, 2-((c)micro-D-Glucopyranosyloxy)-2H-1,4-benzoxazin-3(4H)-one |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | PYQSUTLVBSTCSK-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Substituent Name | O-glycosyl compound, Benzoxazine, Benzenoid, Oxane, Monosaccharide, Cyclic carboximidic acid, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Azacycle, Organoheterocyclic compound, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Organonitrogen compound, Alcohol, Aromatic heteropolycyclic compound |
| Synonyms | (+)-Blepharin, Blepharin, HBOA-Glc, (2R)-2-O-beta-D-Glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one, HBOA-GLC |
| Heavy Atom Count | 23.0 |
| Compound Name | Blepharin |
| Kingdom | Organic compounds |
| Description | Glycoside from seedlings of rye and sweet corn (Zea mays). Blepharin is found in cereals and cereal products, fats and oils, and corn. |
| Exact Mass | 327.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.095 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 435.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 327.29 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one |
| Total Atom Stereocenter Count | 6.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Inchi | InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20) |
| Smiles | C1=CC=C2C(=C1)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O |
| Xlogp | -1.3 |
| Superclass | Organooxygen compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Glycosyl compounds |
| Taxonomy Direct Parent | O-glycosyl compounds |
| Molecular Formula | C14H17NO8 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all