Isowighteone

HCID 5494866
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
68436-47-5
표준 SMILES
CC(C)=CCc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O
InChIKey
SWDSVBNAMCDHTF-UHFFFAOYSA-N
분자식
C20H18O5
평균 분자량
338.4 g/mol
단동위원소 질량
338.11542367

개요

Isowighteone 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 3'. It has been isolated from Ficus mucuso. It has a role as a plant metabolite. It is functionally related to an isoflavone.

이름 및 식별자

우선 이름
Isowighteone
IUPAC
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
영어명
Isowightenon
분자식
C20H18O5
분자량
338.35

이름 및 동의어

isowighteone5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one3'-(gamma,gamma-dimethylallyl)genistein5,7-Dihydroxy-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-4H-chromen-4-oneCHEBI:697493'-(g,g-Dimethylallyl)genistein5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9CI5,7-dihydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)chromen-4-one5,7-Dihydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-4H-1-benzopyran-4-one, 9ciRefChem:15014368436-47-5
이름 더 보기
3'-Dimethylallylgenistein4',5,7-Trihydroxy-3'-prenylisoflavone4',5,7-Trihydroxy-3'-(3-methyl-2-butenyl)isoflavone3'-(3-Methyl-2-butenyl)-4',5,7-trihydroxyisoflavone4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-
IsowigtheoneIsowightenon3'-Prenylgenistein5,7,4'-Trihydroxy-3'-prenylisoflavoneCHEMBL18125933'-prenyl-5,7,4'-trihydroxyisoflavone3'-isoprenylgenistein3'Dimethylallylgenistein

데이터베이스 식별자

CAS
68436-47-5
PubChem CID
5494866
DTXSID
DTXSID801317874
ChEMBL
CHEMBL1271888
ChEBI
CHEBI:69749
UNII
P89WCN5Q95
Nikkaji
J45.334J

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]
Melting Point171 - 172 °C
Physical DescriptionSolid

물리화학적 성질

용해도
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태
가루
색상
노란색

안전 및 규제

안전 데이터

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

화학 및 산업

약리 정보

Cellular LocationsMembrane
응용 분야 · 1건

용도Isowighteone 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.

공급사19 곳

成都彼样生物科技有限公司18108052721 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…