다이하이드록시메톡시칼콘

Cardamonin

HCID 641785CAS 19309-14-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1
InChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-N
분자식: C16H14O4
평균 분자량: 270.28 g/mol
단동위원소 질량: 270.08920893

개요

Cardamonin is a member of chalcones.

이름 및 식별자

우선 이름: Cardamonin
IUPAC: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
현지명: 다이하이드록시메톡시칼콘
영어명: CARDAMONIN
분자식: C16H14O4
분자량: 270.28

이름 및 동의어

Cardamonin19309-14-9Alpinetin chalconeCARDAMOMINDihydroxymethoxychalcone(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-H8KP1OJ8JX2'4'-Dihydroxy-6'-methoxy-chalconeRefChem:574660663-565-8(E)-Cardamonin

이름 더 보기

다이하이드록시메톡시칼콘(8CI)Cardamomin-RMCARDAMONIN(RG)Cardamonin, >=98%6-Diaminocaproic acidCAS19309-14-9 CARDAMONIN(E)-Cardamonin (Standard)(E)-Cardamonin, 10 mM in DMSO

(2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-oneMFCD00238554(E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-oneCHEMBL3781042-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-(E)-Cardamomin(E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-oneCardamomin; Alpinetin chalcone

데이터베이스 식별자

CAS: 19309-14-9
PubChem CID: 641785
DTXSID: DTXSID201029726
ChEMBL: CHEMBL378104
ChEBI: CHEBI:186253
UNII: H8KP1OJ8JX
EC Number: 663-565-8
Nikkaji: J107.395H、J258.621E

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 346

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 199 · 199~200℃
끓는 점: 484.5 · 484.5±45.0 °C(Predicted)
밀도: 1.282 · 1.282±0.06 g/cm3(Predicted)
저장 조건: room temp
용해도: 20 mg/mL · DMSO: ≥20mg/mL
산도 계수 (pKa): 7 · 7.00±0.40(Predicted)
물리적 상태: 가루
색상: 노란색
안정성: 2 · 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°에서 최대 2주 동안 보관할 수 있습니다.
화장품 원료 기능: 피부 컨디셔닝
InChI: InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
InChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-N
SMILES: C(C1=C(OC)C=C(O)C=C1O)(=O)/C=C/C1=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (95%)

안전 데이터

wgk: WGK 3
ridadr: UN 3077 9 / PGIII
HS 번호: 29242990
risk_code: 50/53
hazard_code: N
safety_code: 61-24/25
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Cardamonin has been used as a glycogen synthase kinase 3 (GSK3) inhibitor to study its effects on β-catenin loss and gain-of-function in human preimplantation embryos.

일반 설명This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

공급사50 곳

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合肥翰刚医药科技有限公司+8618062405514 · [email protected]

成都健腾生物技术有限公司028-85159085 · [email protected]

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