Sophoricoside

HCID 5321398
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기본 정보

CAS
152-95-4
표준 SMILES
O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2cc(O)cc(O)c12
InChIKey
ISQRJFLLIDGZEP-CMWLGVBASA-N
분자식
C21H20O10
평균 분자량
432.4 g/mol
단동위원소 질량
432.10564684

개요

Sophoricoside is an acrovestone and an isoflavonoid.

이름 및 식별자

우선 이름
Sophoricoside
IUPAC
5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
영어명
Sophoricoside
분자식
C21H20O10
분자량
432.38

이름 및 동의어

Sophoricoside152-95-4Genistein sophoricoside5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one5',7'-Dihydroxy-4'-glucosyloxyisoflavoneJ0407L5MGMGenistein, 4'-beta-D-glucopyranosideDTXSID6010178405,7-dihydroxy-3-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)chromen-4-oneRefChem:184366DTXCID0014760224H-1-BENZOPYRAN-4-ONE, 3-(4-(BETA-D-GLUCOPYRANOSYLOXY)PHENYL)-5,7-DIHYDROXY-SOPHORICOSIDE
이름 더 보기
SophomoricISOGENISTINSophoricoside(P)Sophoricoside-RMSophoricoside >SOLSTITIALIN A(SH)Sophoricoside ,98%Sophora glycosidesGENISTEIN-4'-GLUCOSIDE
5,7-dihydroxy-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-oneGenistein sophoricoside [MI]CHEMBL486626MFCD010751384H-1-Benzopyran-4-one,3-[4-(b-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-Genistein 4'-b-D-glucopyranoside3-{4-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydr opyran-2-yloxy)]phenyl}-5,7-dihydroxychromen-4-oneGenistein 4'-O-glucoside

데이터베이스 식별자

CAS
152-95-4
PubChem CID
5321398
DTXSID
DTXSID601017840
ChEMBL
CHEMBL486626
ChEBI
CHEBI:188772
UNII
J0407L5MGM
Nikkaji
J5.870J

물성

구조 계산 물성

XLogP
0.9
극성 표면적
166 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
10
회전 가능 결합 수
4
무거운 원자 수
31

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

물리화학적 성질

녹는점
298 ° · 298°
끓는 점
466.08 °C · 466.08°C (rough estimate)
밀도
1.3597 · 1.3597 (rough estimate)
굴절률
1.5376 · 1.5376 (estimate)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도
Aqueous Base (Slightly), DMSO (Slightly, Heated), Pyridine (Slightly, Sonicated)

화학적 성질

Light yellow solid

안전 및 규제

안전 데이터

wgk
WGK 3
HS 번호
29329990
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Genistein 4''-β-D-glucopyranoside is a metabolite of Genistein (G350000), which exhibits specific inhibitory activity against tyrosine kinases,including autophosphorylation of epidermal growth factor receptor kinase (IC50 - 2.6uM). Also inhibits other protein kinases through competitive inhibition of ATP. Inhibits tumor cell proliferation and induces tumor cell differentiation.

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山西玉宁生物科技有限公司13623677056

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