글리시리진

글리시리진 · 글리시리직애씨드 · 글리시리진산 · GLYCYRRHIZIN · Deglycyrrhizinated Licorice · GLYCYRRHIZINATE · liquorice · 18β-Glycyrrhizic acid

https://huagongshe.com/ko/chemical/14982

식별자 및 물리적 특성

CAS No.	1405-86-3
분자식	C42H62O16
평균 분자량	822.9 g/mol
단동위원소 질량	822.40378589 g/mol
SMILES	CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIKey	LPLVUJXQOOQHMX-QWBHMCJMSA-N
PubChem CID	14982
ChEMBL	CHEMBL1927953
ChEBI	CHEBI:15939
EC No.	215-785-7
DTXSID	DTXSID8047006
현지명	글리시리진

화학 및 물리적 성질

XLogP	3.7
극성 표면적	267
수소 결합 공여자 수	8
수소 결합 수용자 수	16
회전 가능 결합 수	7
무거운 원자 수	58
형식 전하	0
복잡도	1,730
LogP(분배 계수)	2.8log Kow = 2.80
맛	Intensely sweet tasteThe sweetness potency of glycyrrhizin is about 33X (10% sucrose solution sweetness equivalence).
Color/Form	Crystals from glacial acetic acidPLATES OR PRISMS FROM ACETIC ACID
용해도	Easily soluble in hot waterFreely sol in hot water, alcoholpractically insol in etherSLIGHTLY SOL IN ETHERDMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨), 피리딘(약간 용해됨)
끓는 점	Decomposes at 200 ºC681.01°C (rough estimate)
녹는점	220220 °C decomposes220°C (rough estimate)
Optical Rotation	Specific optical rotation: +46.2 deg @ 17 °C/D (alcohol, 1.5%)
Physical Description	Solid with intensely sweet taste[Merck Index] Crystalline plates or prisms[MSDSonline]
Collision Cross Section	288.9 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID8047006]286.8 Å² [M+H]+ [CCS Type: DTSource Identifier: DTXSID5047243]294.4 Å² [M+Na]+ [CCS Type: DT282.6 Å² [M-H]- [CCS Type: DTIonization: ESI-296.2 Å² [M+Na]+ [CCS Type: DT281.7 Å² [M-H]- [CCS Type: DT
Other Experimental Properties	ON HYDROLYSIS IT YIELDS GLYCYRRHETIC ACID & 2 MOLES OF GLUCURONIC ACIDSTRUCTURALLY & CHEMICALLY SIMILAR TO ALDOSTERONE & DESOXYCORTICOSTERONESTRUCTURALLY SIMILAR TO MANY CYCLOPENTANOPHENANTHRENE STEROIDSNeedles from 75% aqueous ethanol, decomp 212-217 °C. Specific optical rotation: +46.9 deg @ 20 °C/D (c= 1.5 in 40% ethanol). UV max: 248 nm (e= 11400). Sol in ammonia water, glacial acetic acid. /Ammonium glycycrrhizinate pentahydrate/
밀도	1.1442 (rough estimate)
굴절률	61 ° (C=1.5, EtOH)
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태	고체
pKa(산도 계수)	2.76±0.70(Predicted)
색상	흰색에서 밝은 노란색
냄새	100.00%에서. 순한 매운맛
향취 유형	매운
Merck	14,4505
안정성	흡습성
주요 응용	의약품(소분자)
화장품 원료 기능	피부 컨디셔닝보습제
InChIKey	BXFBITNYMHAJGT-KYXJNIQISA-N
LogP(분배 계수)	4.64
EPA	Glycyrrhizin (1405-86-3)

화학적 성질

Glycyrrhizin, also known as glycyrrhizic acid, is a glycoside isolated from the roots of licorice, Glycyrrhiza glabra L. For improved water solubility, an ammoniated salt is commonly used. This can be in the form of either ammonium glycyrrhizinate or monoammonium glycyrrhizinate.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 100% (93 of 93) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 93 of 93 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 93 reports by companies from 1 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 93 of 93 reports by companies.There are 0 notifications provided by 0 of 93 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.
규제 정보	Chemical: .alpha.-D-Glucopyranosiduronic acid, (3.beta.,20.beta.)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-.beta.-D-glucopyranuronosyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012).alpha.-D-Glucopyranosiduronic acid, (3.beta.,20.beta.)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-.beta.-D-glucopyranuronosyl-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Emergency treatment: LiquoriceHypokalemia, hypernatremia, and water retention are primary problems associated with chronic liquorice ingestion. Glycyrrhizin is the major active compound (triterpene glycoside) in licorice root. It has been used as an herbal remedy for ulcers, inflammation, and viral infections. After ingestion and hydrolysis, the compound inhibits an enzyme that results in increased serum cortisol levels. [Haddad, p. 485] No adverse effects in the majority of adults expected at doses <100 mg/dayA high intake of liquorice confectionery or herbal tea may exceed 100 mg/day[JECFA]
FDA 요건	Essential oils, oleoresins (solvent-free), and natural extractives (including distillates) that are generally recognized as safe for their intended use within the meaning of section 409 of the act. Licorice is included on this list. /Licorice/Substance added directly to human food affirmed as generally recognized as safe (GRAS). /Licorice and licorice derivatives/

용도

Glycyrrhizic acid is a triterpene saponin used in the traditional Chinese medicinal preparation for its anti-inflammatory , antiulcerous and antiallergic effects.