기본 정보
- CAS
18524-94-2- 표준 SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12- InChIKey
AMBQHHVBBHTQBF-UOUCRYGSSA-N- 분자식
- C17H26O10
- 평균 분자량
- 390.4 g/mol
- 단동위원소 질량
- 390.15259702
개요
Loganin is an iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a neuroprotective agent, an anti-inflammatory agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an EC 3.4.23.46 (memapsin 2) inhibitor and a plant metabolite. It is a beta-D-glucoside, a methyl ester, a secondary alcohol, a cyclopentapyran, an iridoid monoterpenoid, an enoate ester and a monosaccharide derivative. It is functionally related to a loganetin.
이름 및 식별자
- 우선 이름
- (-)-Loganin
- IUPAC
- methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- 영어명
- Loganin
- 분자식
- C17H26O10
- 분자량
- 390.38
이름 및 동의어
Loganin18524-94-2Loganoside(-)-LoganinH7WJ16Q93CCHEBI:15771NSC-606403methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylatemethyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylateRefChem:41672242-398-0cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1S, 4aS, 6S, 7R, 7aS)-
이름 더 보기
LoganicCuchilosideMethyl 6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylateMeliatinLoganinlLOGANINENSC 606403
7-Hydroxy-6-desoxyverbenalinMFCD00075645C17H26O10(1S,4aS,6S,7R,7aS)-Methyl 6-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylatemethyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateCyclopenta[c]pyran-4-carboxylic acid,1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1S,4aS,6S,7R,7aS)-methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylatelaganin
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 580
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesChemical shift
Collision Cross Section
195.65 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
194.4 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 222 °C · 222°C
- 끓는 점
- 608.8 · 608.8±55.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- Completely soluble in water
- 용해도
- 15 mg/ml; · DMF: 15 mg/ml; DMSO: 10 mg/ml; PBS (pH 7.2): 10 mg/ml
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12.8 · 12.80±0.70(Predicted)
- 색상
- 흰색에서 거의 흰색
- Merck
- 14 · 14,5560
- BRN
- 55724 · 55724
- 주요 응용
- 음식 및 음료
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- ridadr
- 1544
- HS 번호
- 29389090
- risk_code
- 22
- safety_code
- 22-45-24/25
- F 고인화성물질
- 3-10-23
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Loganin is an iridoid glycoside that exhibits protective effects against hepatic injury and other diabetic complications associated with abnormal metabolic states and inflammation caused by oxidative stress and advanced glycation endproduct formation.
공급사100 곳
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北京华美互利生物化工010-56205725 · [email protected]
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成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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