기본 정보
- CAS
53963-43-2- 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]3[C@@H](O)C[C@]12C- InChIKey
XNGXWSFSJIQMNC-FIYORUNESA-N- 분자식
- C36H62O9
- 평균 분자량
- 638.9 g/mol
- 단동위원소 질량
- 638.43938355
개요
Ginsenoside F1 is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 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 apoptosis inhibitor 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, a 6alpha-hydroxy steroid and a ginsenoside. It derives from a hydride of a dammarane.
이름 및 식별자
- 우선 이름
- Ginsenoside F1
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-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]hept-5-en-2-yl]oxyoxane-3,4,5-triol
- 영어명
- GINSENOSIDEF1
- 분자식
- C36H62O9
- 분자량
- 638.87
이름 및 동의어
Ginsenoside F153963-43-2DTXSID00968777CHEBI:77150ginsenoside G-F1(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-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]hept-5-en-2-yl]oxyoxane-3,4,5-triol(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-((2S)-6-methyl-2-((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-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)hept-5-en-2-yl)oxyoxane-3,4,5-triolRefChem:143210DTXCID90177540920(S)-ginsenoside F1GINSENOSIDEF1MFCD06410947
이름 더 보기
GINSENOSIDE F1(P)Panaxoside AprogeninGINSENOSIDE F1(AS) 10mgGinsenoside F1 (Standard)Ginsenoside F1, 10 mM in DMSOGinsenoside F1 (20(S)-Ginsenoside F1)TIANFU-CHEM CAS:53963-43-2 GINSENOSIDEF1Ginsenoside F1, 98%, from Panax ginseng C. A. Mey.
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 녹는점
- 165 °C · >165°C (dec.)
- 끓는 점
- 751.7 · 751.7±60.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간), 메탄올(약간)에 용해됨
- 산도 계수 (pKa)
- 12.94 · 12.94±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- 옅은 노랑
- 안정성
- 흡습성
- 주요 응용
- 대사체학비타민, 기능성 식품 및 천연 제품
- InChIKey
- XNGXWSFSJIQMNC-FIYORUNESA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Ginsenoside F1 is a bioactive metabolite of the ginsenoside component of Panax ginseng with the ability to inhibit human cytochrome P450 enzymes. This has application in anti-cancer therapeutics as well as protective liver effects.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hy roxy 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.
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