Phlorizin

HCID 6072CAS 60-81-1

基本情報

標準SMILES: O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: IOUVKUPGCMBWBT-QNDFHXLGSA-N
分子式: C21H24O10
平均分子量: 436.4 g/mol
単同位体質量: 436.13694697

概要

Phlorizin is an aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 2' via a glycosidic linkage. It has a role as an antioxidant and a plant metabolite. It is an aryl beta-D-glucoside, a monosaccharide derivative and a member of dihydrochalcones. It is functionally related to a phloretin.

名称と識別子

優先名称: Phlorizin
IUPAC: 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

名称と別名

PhlorizinPhlorhizinPhlorizosideFloridzinPhlorrhizinPhloretin 2'-glucosidePhlorrhizenPhloridzinumPhloretin-2'-O-beta-glucosideCU9S17279XNSC-2833phloretin 2'-O-glucoside

名称をさらに表示

1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one2'-(beta-D-Glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenoneCHEBI:8113DTXSID30753391-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-onePhloridzin Phenolic

データベース識別子

CAS: 60-81-1
PubChem CID: 6072
DTXSID: DTXSID3075339
ChEMBL: CHEMBL245067
ChEBI: CHEBI:8113
UNII: CU9S17279X
Nikkaji: J4.807K

物性

構造計算による物性

XLogP: 1.2
極性表面積: 177 Å²
水素結合供与体数: 7
水素結合受容体数: 10
回転可能結合数: 7
重原子数: 31
形式電荷: 0
複雑度: 581

実験および物理化学的性質

Chemical ClassesBiological Agents -> Plant Oils and Extracts

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Solubility1 mg/mL at 22 °C

Endocrine DisruptorsPotential endocrine disrupting compound

Melting Point110.0 °C

Physical Description · 2 件

Off-white powder; [ChromaDex MSDS]

Solid

安全と法規制

危険有害性情報

Hazards SummaryIntraperitoneal

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

UsesFound in all parts of the apple tree except the mature fruit; Used in animal experiments to produce glycosuria; [Merck Index]