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Daphnetin

HCID 5280569
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
486-35-1
표준 SMILES
O=c1ccc2ccc(O)c(O)c2o1
InChIKey
ATEFPOUAMCWAQS-UHFFFAOYSA-N
분자식
C9H6O4
평균 분자량
178.143 g/mol
단동위원소 질량
178.02660867

이름 및 식별자

우선 이름
Daphnetin
IUPAC
7,8-Dihydroxy-2H-1-benzopyran-2-one
영어명
7,8-Dihydroxycoumarin
분자식
C9H6O4
분자량
178.14

이름 및 동의어

DAPHNETINDaphenetinDaphetinDaphnetolAKOS 213-37DAPHNETIN(P)Daphnetin>Daphnetin-RMDaphnetin, 97%+Daphnetin,HPLC≥98%

데이터베이스 식별자

CAS
486-35-1
PubChem CID
5280569
DTXSID
DTXSID00197560
ChEMBL
CHEMBL244948
ChEBI
CHEBI:17313
UNII
XC84571RD2
EC Number
207-632-8
Nikkaji
J6.008I

물성

물리화학적 성질

녹는점
265 · 265-268°C (dec.)
끓는 점
270.35 °C · 270.35°C (rough estimate)
밀도
1.3431 · 1.3431 (rough estimate)
굴절률
1.45 · 1.4500 (estimate)
저장 조건
room temp
용해도
메탄올에 용해됨
물리적 상태
고체
산도 계수 (pKa)
7.61 · 7.61±0.20(Predicted)
색상
White to Light yellow to Light red
생물학적 소스
synthetic (organic)
Merck
14 · 14,2817
화장품 원료 기능
피부 컨디셔닝
InChI
InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
InChIKey
ATEFPOUAMCWAQS-UHFFFAOYSA-N
SMILES
C1(=O)OC2=C(O)C(O)=CC=C2C=C1
LogP
0.884 · 0.884 (est)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
2
rtecs
GN6382600
HS 번호
29322090
risk_code
25-36/37/38-20/21
hazard_code
Xi
safety_code
22-24/25-36-26-36/37/39
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 4건

개요Daphnetin, mainly extracted from Yu Ruixiang Changbai Daphne (Daphne Korean Nakai), Daphne giraldii Nitsche bark, and root bark, is the main efficacy component of the plants D.tangutica Maxim and D.retttsa Hemsl. Changbai daphnes has the pharmacological effects of warming the spleen and stomach, relaxing the muscles and joints, and promoting circulation. In TCM, it’s commonly used as medicines for treatment of injuries. Because Changbai daphne is a pungent and warm natured herbal medicine, it was used to warm the spleen and stomach by dispelling cold.

역사Changbai daphne, a Chinese traditional medicine in clinic, is mainly used for treatment of coronary heart disease, rheumatoid arthritis, thromboangiitis obliterans, etc. Changbai daphne belongs to the first-class protective plants in Jilin province in China, and the rarity restricted the drug development. Scientists tried to find the effective components of Changbai daphne. In 1977, scientists of phytochemistry research group in the Traditional Chinese Medicine research laboratory from Jilin institute of Chinese medicine first successfully isolated the crystalline monomer– daphnetin– from the plant. Pharmacological results show that the pharmacological activities of this crystal are equal to Changbai daphne, which suggested the crystal is the main active ingredient . Through the condensation reaction experiment using equimolecular pyrogallic acid, malic acid, and twice the amount of sulfuric acid, under heating reaction, scientists successfully got pale yellow needle daphnetin crystals. From then on artificially synthesized daphnetin has been successfully implemented . A large-scale industrial production can be acquired. The followup researches on the metabolism and pharmacological activity of daphnetin were carried out. In 2009, the State Food and Drug Administration of China approved daphnetin capsule to be used in the clinical.

용도Daphnetin is a natural coumarin derivative providing anti-inflammatory and protective properties to those suffering from lung injury.

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

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화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
7-Methoxy-8-[(3-methyl-2-buten-1-yl)oxy]-2H-1-benzopyran-2-one
7,8-디메톡시쿠마린
7-Hydroxy-2-oxo-2H-chroMene-8-carbaldehyde
8-HYDROXY-7-METHOXYCOUMARIN
피로갈롤
7-하이드록시쿠마린
2,3,4-트리하이드록시벤즈알데하이드
DL-말산
프로피오락산
에틸 (트리 페닐 포스 포라 닐리 덴) 아세테이트
무수초산
말레인산

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