Wighteone

HCID 5281814
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기본 정보

CAS
51225-30-0
표준 SMILES
CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIKey
KIMDVVKVNNSHGZ-UHFFFAOYSA-N
분자식
C20H18O5
평균 분자량
338.4 g/mol
단동위원소 질량
338.11542367

개요

Wighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 6. It has been isolated from Ficus mucuso. It has a role as an antifungal agent and a plant metabolite. It is functionally related to an isoflavone.

이름 및 식별자

우선 이름
Wighteone
IUPAC
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
영어명
3-(4-Hydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
분자식
C20H18O5
분자량
338.35

이름 및 동의어

Wighteone51225-30-0Erythrinin B5,7,4'-Trihydroxy-6-prenylisoflavone5,7-Dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one48ZS74CB9ACHEBI:10038DTXSID30199239RefChem:1101049DTXCID101217305,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one3-(4-hydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4h-1-benzopyran-4-one
이름 더 보기
Erythrinin B|||6-Isopentenylgenistein4',5,7-Trihydroxy-6-prenyl-isoflavone4',5,7-Trihydroxy-6-(3-methyl-2-butenyl)isoflavone5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-UNII-48ZS74CB9ACHEMBL393222orb1681466orb2900227SCHEMBL1170652SCHEMBL35556596

데이터베이스 식별자

CAS
51225-30-0
PubChem CID
5281814
DTXSID
DTXSID30199239
ChEMBL
CHEMBL393222
ChEBI
CHEBI:10038
UNII
48ZS74CB9A
Nikkaji
J33.879F

물성

구조 계산 물성

XLogP
4.6
극성 표면적
87 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
25

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
227 °C · 227 °C(Solv: methanol (67-56-1))
끓는 점
586.1 · 586.1±50.0 °C(Predicted)
밀도
1.351 · 1.351±0.06 g/cm3(Predicted)
용해도
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태
가루
산도 계수 (pKa)
7.03 · 7.03±0.20(Predicted)

안전 및 규제

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도Wighteone is a natural product derivative of Genistein (G350000). Genistein 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. Produces cell-cycle arrest and apoptosis in Jurat T-leukemia cells. However, it prevents anti-CD3 monoclonal antibody-induced thymic apoptosis. Genistein also inhibits topoisomerase II activity in vitro. Genistein has also been shown to inhibit the action of GABA on recombinant GABAA receptors 2. uv(max)ethanol: 262.5 nm (e= 138). moderately sol. in hot alcohol.

상·하류 제품 정보

하류 제품

공급사56 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]

추가 설명

정의ChEBI: A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 6. It has been isolated from Ficus mucuso.

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