기본 정보
- CAS
39262-14-1- 표준 SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C- InChIKey
FVIZARNDLVOMSU-IRFFNABBSA-N- 분자식
- C36H62O8
- 평균 분자량
- 622.9 g/mol
- 단동위원소 질량
- 622.44446894
개요
Ginsenoside C-K is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. It has a role as an antineoplastic agent, an anti-allergic agent, a hepatoprotective agent, an anti-inflammatory agent and a plant metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a beta-D-glucoside, a tetracyclic triterpenoid, a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a ginsenoside. It derives from a hydride of a dammarane.
이름 및 식별자
- 우선 이름
- Ginsenoside K
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- Ginsenoside CK
- 분자식
- C36H62O8
- 분자량
- 622.88
이름 및 동의어
Ginsenoside KRefChem:639972ginsenoside C-K39262-14-1ginsenoside CKginsenoside compound Kginsenoside M120(S)-GINSENOSIDE CKginsenosideCKginsenoside-C-KMFCD0777226120(S)-Ginsenoside C-K
이름 더 보기
IH-901CoMpoundCKGinsenosinde CK20S-Ginsenoside CS-Ginsenoside C-KGinsenoside C-K-RMGINSENOSIDE COMPOUND K(P)Compound K-Ginsenoside CKGinsenoside C-K (Standard)
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol20-O-beta-D-glucopyranosyl-20(S)-protopanaxadiol3-O-Deglucosylginsenoside F2Protopanaxadiol 20-O-glucosideCHEMBL3355096CHEBI:77146G8D4792Q7KIH 901
데이터베이스 식별자
- CAS
39262-14-1
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,070
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
물리화학적 성질
- 녹는점
- 181 · 181~183℃
- 끓는 점
- 723.1 · 723.1±60.0 °C(Predicted)
- 밀도
- 1.19 · 1.19
- 저장 조건
- -20 °C · -20°C
- 용해도
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml
- 산도 계수 (pKa)
- 12.94 · 12.94±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- 하얀색
- 안정성
- 흡습성
- 주요 응용
- 대사체학비타민, 기능성 식품 및 천연 제품
- InChIKey
- FVIZARNDLVOMSU-SFEJUJENNA-N
- SMILES
- CC(C)=CCC[C@](C1C2[C@H](O)CC3[C@@]([C@]2(C)CC1)(C)CCC4C(C)(C)[C@@H](O)CC[C@@]43C)(C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
- LogP
- 5.5 · 5.500 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Ginsenoside compound K (C-K) is a metabolite of the protopanaxadiol-type saponins of Panax ginseng C.A. Meyer, has long been used to treat against the development of cancer, inflammation, allergies, and diabetes; C-K acts as a unique HUVEC migration inhibitor by regulating MMP expression, as well as the activity of SPHK1 and its related sphingolipid metabolites. C-K exhibits anti-inflammatory effects by reducing iNOS and COX-2, C-K exhibits an inhibition against the activity of CYP2C9 and CYP2A6 in human liver microsomes with IC50s of 32.0±3.6 μM and 63.6±4.2 μM, respectively. C-K promotes Aβ clearance by enhancing autophagy via the mTOR signaling pathway in primary astrocytes.
용도Ginsenoside C-K is reported to exhibit anti-wrinkle effects. Also, it potentiates tumor necrosis factor (TNF)-related apotosis-inducing ligand (TRAIL)-induced apotosis in HCT116 colon cancer.
일반 설명This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate.
상·하류 제품 정보
상류 원료
공급사100 곳
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
山西玉宁生物科技有限公司13623677056 · [email protected]
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济南百隆化学有限公司[email protected] · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
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