| Identification | Back Directory | [Name]
coniferin | [CAS]
531-29-3 | [Synonyms]
Abietin
Coniferosid
Coniferoside
Coniferyl alcohol β-D-glucoside
4-(3-Hydroxy-1-propenyl)-2-methoxyphenyl β-D-glucopyranoside
4-(3-Hydroxy-1-propen-1-yl)-2-Methoxyphenyl β-Glucopyranoside
4-Hydroxy-3-methoxy-1-(γ-hydroxypropenyl)benzene-4-D-glucoside
β-Glucopyranoside, 4-(3-hydroxy-1-propen-1-yl)-2-methoxyphenyl
4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside | [Molecular Formula]
C16H22O8 | [MDL Number]
MFCD00875440 | [MOL File]
531-29-3.mol | [Molecular Weight]
342.34 |
| Chemical Properties | Back Directory | [Melting point ]
186°C | [Boiling point ]
397.8°C (rough estimate) | [density ]
1.2628 (rough estimate) | [refractive index ]
1.4430 (estimate) | [storage temp. ]
-20°C | [solubility ]
DMSO: 10 mM | [form ]
A solid | [pka]
12.81±0.70(Predicted) | [color ]
White to off-white | [Water Solubility ]
4.975g/L(cold water) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2,4-7,12-21H,3,8H2,1H3/b6-2+/t12-,13-,14+,15-,16-/m1/s1 | [InChIKey]
XQIJIPVRXMWYLN-GLIXSRQJSA-N | [SMILES]
COc1cc(C\C=C\O)ccc1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O | [LogP]
-1.510 (est) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36 | [Safety Statements ]
26 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Uses]
A metabolite, and key biosynthetic intermediate for cell wall lignifcation within phenylpropanoid biosynthesis of coniferous trees. A substrate for Coniferin β-D-Glucosidase. | [Definition]
ChEBI: A monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. |
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