이솔리퀴티게닌

Isoliquiritigenin

HCID 638278
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기본 정보

CAS
13745-20-5
표준 SMILES
O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O
InChIKey
DXDRHHKMWQZJHT-FPYGCLRLSA-N
분자식
C15H12O4
평균 분자량
256.25 g/mol
단동위원소 질량
256.07355886

개요

Isoliquiritigenin is a member of the class of chalcones that is trans-chalcone hydroxylated at C-2', -4 and -4'. It has a role as a geroprotector, a metabolite, a biological pigment, an antineoplastic agent, a GABA modulator, an EC 1.14.18.1 (tyrosinase) inhibitor and a NMDA receptor antagonist. It is a member of chalcones and a member of (E)-2'-hydroxy-chalcones. It is functionally related to a trans-chalcone. It is a conjugate acid of an isoliquiritigenin(1-).

이름 및 식별자

우선 이름
Isoliquiritigenin
IUPAC
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
현지명
이솔리퀴티게닌
영어명
Isoliquiritigenin
분자식
C15H12O4
분자량
256.25

이름 및 동의어

isoliquiritigenin961-29-5(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-onetrihydroxychalcone6'-deoxychalcone2',4',4-TrihydroxychalconeChalcone, 2',4,4'-trihydroxy-GU 17B9CTI9GB8FGU-17trans-2',4,4'-trihydroxychalcone2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-
이름 더 보기
이솔리퀴티게닌ISLISOLIQUIRTIGENIN4,2',4'-TRIHYDROXYCHALCONE(2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-onegu17IsoliquiritigenIsqliquiritigeninISOLIQUIRITIGENIN(P)Isoliquiritigenin>
DTXSID2022466(E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenoneCHEBI:310312(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-oneRefChem:51351DTXCID202466677-489-82',4,4'-Trihydroxychalcone

데이터베이스 식별자

CAS
13745-20-5、961-29-5
PubChem CID
638278
DTXSID
DTXSID2022466
ChEMBL
CHEMBL129795
ChEBI
CHEBI:310312
UNII
B9CTI9GB8F
EC Number
237-316-5、677-489-8
Nikkaji
J120.923J、J74.686J

물성

구조 계산 물성

XLogP
3.2
극성 표면적
77.8 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
19

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
LogP1.91
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point200 - 204 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
206 · 206-210°C
끓는 점
504 · 504.0±42.0 °C(Predicted)
밀도
1.384 · 1.384±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: <0.1 mg/mL
물리적 상태
가루

화학적 성질

It is a yellow crystalline powder soluble in organic solvents such as methanol, ethanol, and DMSO, and is derived from liquorice and dianthus.

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
rtecs
FL7080000
HS 번호
29145090
risk_code
36/37/38
safety_code
26-37
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Cellular LocationsMembrane

응용 분야

일반 설명Isoliquiritigenin is an aromatic ketone and belongs to the chalcone group of compound. It is derived from licorice and is a component in medicine and food.

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]
西安久启生物科技有限公司18729366352 13186100227

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