미리시트린
5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxy-2-(3,4,5-Trihydroxyphenyl)Chromen-4-One
기본 정보
- CAS
17912-87-7- 표준 SMILES
CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O- InChIKey
DCYOADKBABEMIQ-UHFFFAOYSA-N- 분자식
- C21H20O12
- 평균 분자량
- 464.4 g/mol
- 단동위원소 질량
- 464.09547608
개요
myricitrin has been reported in Mycoacia fuscoatra, Glochidion sphaerogynum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 5,7-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxy-2-(3,4,5-Trihydroxyphenyl)Chromen-4-One
- IUPAC
- 5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
- 현지명
- 미리시트린
- 영어명
- Myricitrin
- 분자식
- C21H20O12
- 분자량
- 464.38
이름 및 동의어
5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneRefChem:1072260Myricetin 3-rhamnosideMLS000737865Rhamnoside,myricetin-3Myricetin 3-O-L-rhamnosideMyricetol 3-rhamnosideSMR0005281965,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneMyricetin-3-O-alpha-L-rhamnosideMyricetin 3-O-.alpha.-L-rhamnopyranosideMyricitrin (8CI)
이름 더 보기
미리시트린MYRICETIN-3-O-RHAMNOSIDEMyricetrinCANNABISCITRINMYRICETIN-3-RHAMNOSIDEMYRICITRINMIRICITRINMyricitrineMetricationMyricitrosideMyricitrin>
Myricitrin [M+H]+Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnosideCHEMBL1599224SCHEMBL13240936cid_5352000DTXSID60864807DCYOADKBABEMIQ-UHFFFAOYSA-NBDBM115130
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 207 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 760
실험 및 물리화학적 성질
Melting Point194 - 197 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 197 °C · 197°C(lit.)
- 끓는 점
- 896.6 · 896.6±65.0 °C(Predicted)
- 밀도
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- FEMA
- 4491 · 4491 | MYRICITRIN
- 저장 조건
- -20 °C · -20°C
- 용해도
- 93 mg/mL · Soluble to 93 mg/mL (200.26 mM) in DMSO
- 산도 계수 (pKa)
- 6.16 · 6.16±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- Light yellow to Yellow to Orange
- 냄새
- 프루트 왁스 냄새
- JECFA Number
- 2207 · 2207
- 화장품 원료 기능
- 피부 보호항산화제
- InChIKey
- DCYOADKBABEMIQ-AOSJLMIMNA-N
- SMILES
- O([C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1C(C2=C(C=C(O)C=C2OC=1C1C=C(O)C(O)=C(O)C=1)O)=O |&1:1,3,5,7,9,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29389090
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
응용 분야
용도It was isolated from the leaves of Myrtus communis; shows antimutagenic activity. Myricitrin was a very potent radical scavenger with an IC50 value of 1.4 .mu.g/mL. Moreover, this compound induced an inhibitory activity against nifuroxazide, aflatoxine B1 and H2O2 induced mutagenicity. Antioxidant.
일반 설명Produced and qualified by HWI pharma services GmbH.Exact content by quantitative NMR can be found on the certificate.
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity.
관련 반응
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