기본 정보
- CAS
1094250-15-3- 표준 SMILES
CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1- InChIKey
GACOFEKSDCOVMV-RRYXBOBMSA-N- 분자식
- C26H34O6
- 평균 분자량
- 442.5 g/mol
- 단동위원소 질량
- 442.2355388
개요
Englerin A is a guaiane sesquiterpenoid that is isolated from the bark of Phyllanthus engleri, a plant native to Tanzania and Zimbabwe. It acts as a potent and specific inhibitor of renal cancer cell growth. It has a role as a metabolite and an antineoplastic agent. It is a cinnamate ester, a guaiane sesquiterpenoid and a glycolate ester.
이름 및 식별자
- 우선 이름
- Englerin A
- IUPAC
- [(1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] (E)-3-phenylprop-2-enoate
- 영어명
- Englerin A
- 분자식
- C26H34O6
- 분자량
- 442.55
이름 및 동의어
Englerin ACHEBI:72441(1R,3aR,4S,5R,7R,8S,8aR)-5-(glycoloyloxy)-7-isopropyl-1,4-dimethyldecahydro-4,7-epoxyazulen-8-yl (2E)-3-phenylacrylate[(1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] (E)-3-phenylprop-2-enoate((1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo(6.2.1.02,6)undecan-7-yl) (E)-3-phenylprop-2-enoateRefChem:9209501094250-15-3(-)-englerin AEnglerin-A(1R,3aR,4S,5R,7R,8S,8aR)-5-(2-Hydroxyacetoxy)-7-isopropyl-1,4-dimethyldecahydro-4,7-epoxyazulen-8-yl cinnamateGTPL8372A1L55
이름 더 보기
(?)-Englerin A(-)-Englerin A-RMEnglerin A high purity(1S,2R,5R,6R,7S,8R,10R)-10-(Glycoloyloxy)-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-7-yl(2E)-3-phenylacrylate2-Propenoic acid, 3-phenyl-, (1R,3aR,4S,5R,7R,8S,8aR)-decahydro-5-[(2-hydroxyacetyl)oxy]-1,4-dimethyl-7-(1-methylethyl)-4,7-epoxyazulen-8-yl ester, (2E)-
Englerin A (Standard)orb1984888CHEMBL2024567SCHEMBL12280306GLXC-15524BDBM50601267AKOS040756464HY-133168R
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 82.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 741
물리화학적 성질
- 녹는점
- 57 °C · 57 °C
- 끓는 점
- 550.3 · 550.3±50.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 산도 계수 (pKa)
- 12.88 · 12.88±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to light yellow
- 주요 응용
- 음식 및 음료
- InChIKey
- GACOFEKSDCOVMV-ACCUITESSA-N
- SMILES
- O1C2(C3C(C(C1(CC2OC(=O)CO)C(C)C)OC(=O)\C=C\c4ccccc4)C(CC3)C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Englerin A is a selective inhibitor of renal cancer cell growth.
상·하류 제품 정보
하류 제품
공급사16 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
碧语生物科技（上海）有限公司021-26018599
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
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