기본 정보
- CAS
480-40-0- 표준 SMILES
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12- InChIKey
RTIXKCRFFJGDFG-UHFFFAOYSA-N- 분자식
- C15H10O4
- 평균 분자량
- 254.24 g/mol
- 단동위원소 질량
- 254.0579088
개요
Chrysin is a dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. It has a role as an antioxidant, an antineoplastic agent, a hepatoprotective agent, an anti-inflammatory agent, a plant metabolite and an EC 2.7.11.18 (myosin-light-chain kinase) inhibitor. It is a dihydroxyflavone and a 7-hydroxyflavonol.
이름 및 식별자
- 우선 이름
- Chrysin
- IUPAC
- 5,7-dihydroxy-2-phenylchromen-4-one
- 현지명
- 크리신
- 영어명
- Chrysin
- 분자식
- C15H10O4
- 분자량
- 254.24
이름 및 동의어
chrysin480-40-05,7-DihydroxyflavoneChrysine5,7-dihydroxy-2-phenylchromen-4-one4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-oneFLAVONE, 5,7-DIHYDROXY-DTXSID1022396NSC-4074363CN01F5ZJ5DTXCID902396
이름 더 보기
크리신5,7-DIHYDROXY-2-PHENYL-CHROMEN-4-ONEhrysinNSC 407436Chrysin-RMCHRYSIN(RG)
CHEBI:750955,7-dihydroxy-flavoneRefChem:5686207-549-75,7-Dihydroxy-2-phenyl-4H-chromen-4-oneCrysinChrysinic acidMFCD00006834
데이터베이스 식별자
- CAS
480-40-0- PubChem CID
- 5281607
- DTXSID
DTXSID1022396- ChEMBL
CHEMBL117- ChEBI
CHEBI:75095- UNII
- 3CN01F5ZJ5
- EC Number
- 207-549-7
- Nikkaji
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 384
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Wood Dusts & Extracts
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
LogP
3.520
3.52
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point285.50 °C. @ 760.00 mm Hg
Physical DescriptionLight yellow solid; [Merck Index] Yellow powder; [Alfa Aesar MSDS]
Collision Cross Section
157.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1022396]
151.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
167.64 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 284 · 284-286 °C(lit.)
- 끓는 점
- 357.45 °C · 357.45°C (rough estimate)
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 80% (8 of 10) of all reports.
Warning
H315 (20%): 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 10 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 3
- rtecs
- LK8329050
- HS 번호
- 29329990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- 위험 등급
- IRRITANT
- F 고인화성물질
- 10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/MetabolitesChrysin has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid.
Cellular LocationsMembrane
용도 및 제조
UsesFrom heartwood of Pinus monticola; [Merck Index]
응용 분야
개요Chrysin is a natural flavonoid with antioxidant, anti-inflammatory, and anticancer properties. It blocks COX-2 gene expression, PGE2 production, and hydroxyl radical formation in LPS-induced RAW 264.7 cells. Chrysin inhibits insulin-induced HIF-1α expression (~50% at 10 μM) in human prostate cancer DU145 cells and blocks DU145 xenograft-induced angiogenesis in vivo. In a mouse model of ischemia/reperfusion injury, chrysin decreased pro-inflammatory gene expression and oxidative stress, resulting in a reduction of infarct volume and neurological defects.
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