2′,4,4′,6′-테트라히드록시칼콘

2',4,4',6'-Tetrahydroxychalcone

HCID 5280960CAS 25515-46-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)cc1O
InChIKey
YQHMWTPYORBCMF-ZZXKWVIFSA-N
분자식
C15H12O5
평균 분자량
272.25 g/mol
단동위원소 질량
272.06847348

개요

2',4,4',6'-tetrahydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively. It has a role as a metabolite, an anti-allergic agent and an anti-inflammatory agent. It is a member of chalcones, a member of (E)-2'-hydroxy-chalcones and a polyphenol. It is functionally related to a trans-chalcone.

이름 및 식별자

우선 이름
2',4,4',6'-Tetrahydroxychalcone
IUPAC
(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
현지명
2′,4,4′,6′-테트라히드록시칼콘
영어명
2',4,4',6'-Tetrahydroxychalcone
분자식
C15H12O5
분자량
272.25

이름 및 동의어

naringenin chalconeChalconaringenin73692-50-9Isosalipurpol25515-46-22',4,4',6'-Tetrahydroxychalconetrans-2',4,4',6'-TetrahydroxychalconeYCF6Z24AS2CHEBI:154132'4'6'4-Tetrahydroxychalcone3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one(2E)-3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one
이름 더 보기
2′,4,4′,6′-테트라히드록시칼콘Naringenin chalconcNaringenin chalconeNaringenin chalcone-RMNaringenin chalcone (Standard)1-(2,4,6-Trihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-one2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, (2E)-
DTXSID201025574RefChem:832073DTXCID701526072860-137-4Chalcononaringenin(E)-Naringenin chalcone(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one(E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

데이터베이스 식별자

CAS
25515-46-2、5071-40-9、73692-50-9
PubChem CID
5280960
DTXSID
DTXSID101043553
ChEMBL
CHEMBL338066
ChEBI
CHEBI:15413
UNII
YCF6Z24AS2
EC Number
860-137-4
Nikkaji
J16.987K、J258.627D

물성

구조 계산 물성

XLogP
2.8
극성 표면적
98 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
20

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Melting Point184 °C
Physical DescriptionSolid

물리화학적 성질

끓는 점
538.7 · 538.7±50.0 °C(Predicted)
밀도
1.483 · 1.483±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
6.94 · 6.94±0.40(Predicted)
주요 응용
음식 및 음료
InChI
1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk
WGK 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

공급사26 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]

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