Naringin dihydrochalcone

HCID 9894584CAS 18916-17-1

기본 정보

표준 SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey: CWBZAESOUBENAP-QVNVHUMTSA-N
분자식: C27H34O14
평균 분자량: 582.5 g/mol
단동위원소 질량: 582.19485575

이름 및 식별자

우선 이름: Naringin dihydrochalcone
IUPAC: 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
영어명: Naringin dihydrochalcone
분자식: C27H34O14
분자량: 582.56

이름 및 동의어

naringin dihydrochalcone18916-17-1FEMA no. 44957233QDO0QWDTXSID10940428Phloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside)1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-Propanone, 1-[4-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-Glucopyranoside, 3,5-dihydroxy-4-(p-hydroxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-RefChem:164854DTXCID401777781700-320-7

이름 더 보기

Naringine DCSenior saccharinNaringin dihydrochalNARINGINDIHYDROHALCONENAGINGINDIHYDROCHALCONENARINGIN DIHYDOROCHALCONENaringin dihydrochalcone-RMranosyl)- β-D-glucopyranosyl]oxy]-

Naringin DC1-(4-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-oneMFCD084361451-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-oneNaringindihydrochalconeUNII-7233QDO0QWbeta-D-3,5-Dihydroxy-4-(p-hydroxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)glucopyranoside; Phloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside); Naringin Dihydrochalconenaringin-dihydrochalcone

데이터베이스 식별자

CAS: 18916-17-1
PubChem CID: 9894584
DTXSID: DTXSID10940428
ChEMBL: CHEMBL5308388
ChEBI: CHEBI:184078
UNII: 7233QDO0QW
EC Number: 700-320-7
Nikkaji: J531.268J

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 236 Å²
수소 결합 공여자 수: 9
수소 결합 수용자 수: 14
회전 가능 결합 수: 9
무거운 원자 수: 41
형식 전하: 0
복잡도: 827

실험 및 물리화학적 성질

Solubility · 2건

Soluble

Soluble (in ethanol)

Physical DescriptionWhite solid, Bland aroma

물리화학적 성질

녹는점: 131 · 131-132°C
끓는 점: 916.8 · 916.8±65.0 °C(Predicted)
밀도: 1.63 · 1.63±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 20-50℃
FEMA: 4495 · 4495 | NARINGIN DIHYDROCHALCONE
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 6.85 · 6.85±0.40(Predicted)
색상: 흰색에서 황백색까지
JECFA Number: 2208 · 2208
주요 응용: 음식 및 음료
InChIKey: CWBZAESOUBENAP-CUDWAMJSNA-N
SMILES: O1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1C)O)O)O)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO)Oc3cc(c(c(c3)O)C(=O)CCc4ccc(cc4)O)O
LogP: -0.703 · -0.703-1.01 at 22.6℃ and pH5-9

안전 및 규제

GHS 분류

GHS Classification · 2건

Not Classified；Reported as not meeting GHS hazard criteria by 100 of 112 companies

Aggregated GHS information provided per 112 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 100 of 112 reports by companies.；There are 2 notifications provided by 12 of 112 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 24-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11444

Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory Information · 2건

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 24-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11444

안전 데이터

wgk: WGK 1
HS 번호: 29329990
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 2건

개요Naringin dihydrochalcone is an artificial sweetener and flavonoid that has been isolated from various plants and has antioxidant activity. It scavenges ABTS (Item No. 27317), oxygen, and 2,2-diphenyl-1-picrylhydrazyl (DPPH; Item No. 14805) radicals in cell free assays (IC50s = 24, 322.8, and 318.9 μM, respectively).

용도Naringin Dihydrochalcone is an intense sweetener and strong antioxidant compound which displays anti-allegeric activity.

상·하류 제품 정보

상류 원료

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

추가 설명

정의ChEBI: Naringin dihydrochalcone is a member of flavonoids and a glycoside.

연결된 노트

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