Phlorizin

HCID 6072CAS 60-81-1

기본 정보

표준 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
분자식: C21H24O10
평균 분자량: 436.4 g/mol
단동위원소 질량: 436.13694697

개요

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.

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 177 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 10
회전 가능 결합 수: 7
무거운 원자 수: 31
형식 전하: 0
복잡도: 581

실험 및 물리화학적 성질

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 · 2건

Off-white powder; [ChromaDex MSDS]

Solid

안전 및 규제

유해성 정보

Hazards SummaryIntraperitoneal

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

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

연결된 노트

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