Isoquercetin

HCID 5280804CAS 21637-25-2

기본 정보

표준 SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIKey
OVSQVDMCBVZWGM-QSOFNFLRSA-N
분자식
C21H20O12
평균 분자량
464.4 g/mol
단동위원소 질량
464.09547608

개요

Quercetin 3-O-beta-D-glucopyranoside is a quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a histamine antagonist, a bone density conservation agent, an antipruritic drug, an osteogenesis regulator and a plant metabolite. It is a beta-D-glucoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside. It is functionally related to a beta-D-glucose. It is a conjugate acid of a quercetin 3-O-beta-D-glucopyranoside(1-).

이름 및 식별자

우선 이름
Isoquercetin
IUPAC
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

이름 및 동의어

IsoquercetinHirsutrinQuercetin 3-o-glucopyranoside3-GlucosylquercetinQuercetin 3-D-glucosideQuercetol 3-monoglucosideCONTIGOSIDE BQuercetin-3-O-glucopyranosideQuercetol 3-glucosideQuercetin 3-monoglucosideQuercetin 3-beta-glucosidequercetin glucoside
이름 더 보기
Quercetin-3-glucoseQuercetin 3-beta-O-glucosideRonacare isoquercetinGlucosyl-3-quercetinquercetin 3-O-beta-D-glucopyranosideIsoquercetin, (-)-6HN2PC637TUNII-6HN2PC637T

데이터베이스 식별자

CAS
21637-25-2、482-35-9
PubChem CID
5280804
DTXSID
DTXSID3041110
ChEMBL
CHEMBL250450
ChEBI
CHEBI:68352
UNII
6HN2PC637T
EC Number
483-280-0、640-533-1
Nikkaji
J263.910F

물성

구조 계산 물성

XLogP
0.4
극성 표면적
207 Ų
수소 결합 공여자 수
8
수소 결합 수용자 수
12
회전 가능 결합 수
4
무거운 원자 수
33

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
LogP0.7
Melting Point238 - 242 °C
Physical DescriptionSolid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3865
Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

Not Classified

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

관련 반응

5건

연결된 노트

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