기본 정보
- CAS
529-55-5- 표준 SMILES
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21- InChIKey
DLIKSSGEMUFQOK-SFTVRKLSSA-N- 분자식
- C21H22O10
- 평균 분자량
- 434.4 g/mol
- 단동위원소 질량
- 434.12129689
개요
Naringenin 7-O-beta-D-glucoside is a flavanone 7-O-beta-D-glucoside that is (S)-naringenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite, an antibacterial agent, a hypoglycemic agent and an antilipemic drug. It is a flavanone 7-O-beta-D-glucoside, a member of 4'-hydroxyflavanones, a (2S)-flavan-4-one, a dihydroxyflavanone and a monosaccharide derivative. It is functionally related to a (S)-naringenin.
이름 및 식별자
- 우선 이름
- Prunin
- IUPAC
- (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
- 영어명
- Prunin
- 분자식
- C21H22O10
- 분자량
- 434.4
이름 및 동의어
Prunin529-55-5Naringenin 7-O-beta-D-glucosidePRUNIN PROTEIN, PRUNUSLSB8HDX4E5Pru du 6 protein, PrunusCHEBI:28327DTXSID40967365(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosideNSC-135064(2S)-5-HYDROXY-2-(4-HYDROXYPHENYL)-7-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY-2,3-DIHYDROCHROMEN-4-ONE(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
이름 더 보기
NARINGENIN-7-O-GLUCOSIDENaringenin 7-O-β-D-glucopyranosideNARINGENIN-7-GLUCOSIDENaringenin-7-O-β-D-glucosidePrunnin,Prunin-7-(((2S,3R,4S,5S,6R)Prunin, 10 mM in DMSONARINGENIN-7-GLUCOSIDE hplc(-)-Naringenin 7-b-D-glucoside
RefChem:870060DTXCID301527428(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one208-464-8SCHEMBL318229(S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneAC-35062CS-0017098
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 623
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
물리화학적 성질
- 녹는점
- 222 · 222-224°C
- 끓는 점
- 802.4 · 802.4±65.0 °C(Predicted)
- 밀도
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 20 · DMSO:20.0(Max Conc. mg/mL);46.04(Max Conc. mM)DMF:30.0(Max Conc. mg/mL);69.06(Max Conc. mM)DMF:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL);0.69(Max Conc. mM)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.18 · 7.18±0.40(Predicted)
- 색상
- White to off-white
- 주요 응용
- 대사체학비타민, 기능성 식품 및 천연 제품
- 화장품 원료 기능
- 항산화제피부 보호피부 컨디셔닝 - 보습제
- InChIKey
- DLIKSSGEMUFQOK-QPCQPNPENA-N
- SMILES
- O=C1C[C@@H](C2C=CC(O)=CC=2)OC2=CC(O[C@H]3[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O3)O)=CC(O)=C12 |&1:3,16,17,18,20,22,r|
- LogP
- 0.82 · 0.820 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H400 (95%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAquatic Acute 1 (95%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-50
- hazard_code
- N
- safety_code
- 22-45-61
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Prunin is a naturally occurring flavonoid which displays tyrosine phosphatase 1B inhibition. Also stimulates glucose uptake in insulin-resistant HepG2 cells.
공급사102 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
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