기본 정보
- CAS
60-82-2- 표준 SMILES
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O- InChIKey
VGEREEWJJVICBM-UHFFFAOYSA-N- 분자식
- C15H14O5
- 평균 분자량
- 274.27 g/mol
- 단동위원소 질량
- 274.08412354
개요
Phloretin is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. It has a role as an antineoplastic agent and a plant metabolite. It is functionally related to a dihydrochalcone.
이름 및 식별자
- 우선 이름
- Phloretin
- IUPAC
- 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
- 현지명
- 플로레틴
- 영어명
- Phloretin
- 분자식
- C15H14O5
- 분자량
- 274.27
이름 및 동의어
phloretin60-82-2Dihydronaringenin3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-onePhloretol1-Propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-DTXSID6022393S5J5OE47MKFEMA NO. 4390NSC-4072922',4,4',6'-TetrahydroxydihydrochalconeDTXCID702393
이름 더 보기
플로레틴FloretinoretinRJC 02792PhloridinAsebogenol
CHEBI:172762',4,4',6'-Tetrahydroxy-DihydrochalconeRefChem:861869200-488-73-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanoneMFCD00002288NSC 407292Phloretin (Standard)
데이터베이스 식별자
- CAS
60-82-2- PubChem CID
- 4788
- DTXSID
DTXSID6022393- ChEMBL
CHEMBL45068- ChEBI
CHEBI:17276- UNII
- S5J5OE47MK
- EC Number
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 98 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 312
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
0.123 mg/mL at 16 °C
Slightly soluble in water
Sparingly soluble (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point263.5 °C
Physical Description
Solid
Pearl white powder; Sweet aroma
Collision Cross Section
159.02 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
160.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 72.4% (118 of 163) of all reports.
Warning
H315 (27.6%): 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 163 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesSkin Irrit. 2 (27.6%)
안전 데이터
- wgk
- 3
- HS 번호
- 29145090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-20817
- F 고인화성물질
- 3-10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/MetabolitesPhloretin has known human metabolites that include Phloretin, 4p-hydroxy-glucuronide and Phloretin, 2p-hydroxy-glucuronide.
Tissue LocationsFibroblasts
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
용도As glucose transport inhibitor, Phloretin can inhibits protein kinase C and has been shown to inhibit the entry of five enveloped viruses into human fibroblasts.
용도Phloretin has been used:to study its effect on the 2-[N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-2-deoxy-d-glucose (2-NBDG) and 2-[N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-2-deoxy-l-glucose (2-NBDLG) uptaketo incubate microvesicles in order to inhibit GLUT1 (glucose transporter 1)-mediated transport in radioactive ligand up-take assayas a component of KRH buffer to stop glucose uptake by trophoblast cells in vitro
일반 설명Phloretin is a dihydrochalcone flavonoid with antioxidant activity usually found in apples and apple-derived products. It is extensively used for peroxynitrite scavenging and the inhibition of lipid peroxidation. It has been found to inhibit the growth of several cancer cells and induce apoptosis of B16 melanoma and HL60 human leukemia cells.
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