기본 정보
- CAS
6902-77-8- 표준 SMILES
COC(=O)C1=COC(O)C2C(CO)=CCC12- InChIKey
AZKVWQKMDGGDSV-UHFFFAOYSA-N- 분자식
- C11H14O5
- 평균 분자량
- 226.23 g/mol
개요
1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester is an iridoid monoterpenoid.
이름 및 식별자
- 우선 이름
- Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
- IUPAC
- methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
- 영어명
- Genipin
- 분자식
- C11H14O5
- 분자량
- 226.23
이름 및 동의어
Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl esterSCHEMBL9609096CHEBI:94318AZKVWQKMDGGDSV-UHFFFAOYSA-NHMS3330G16Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, [1R-(1.alpha.,4a.alpha.,7a.alpha.)]-Cyclopenta[c]pyran-4-carboxylic acid, 1,4a.alpha.,5,7a.alpha.-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl esterNSC49633MFCD13185151NSC-49633s2412
이름 더 보기
enipinGENIPINJingpingGenipin>GENIPIN(SH)GENIPIN(RG)(+)-GenipinGenipin(AS)Genipin 95%Genipin, >=98%
AKOS015902656LS-13965BRD-A04308630-001-01-6Q27166138Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate #
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 357
실험 및 물리화학적 성질
Melting Point120 - 121 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 118 to · 118.0 to 123.0 °C
- 끓는 점
- 287.83 °C · 287.83°C (rough estimate)
- 밀도
- 1.123 · 1.1230 (rough estimate)
- 굴절률
- 1.472 · 1.4720 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 25 mg/mL · DMSO: ≥25mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.06 · 12.06±0.60(Predicted)
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
- InChIKey
- AZKVWQKMDGGDSV-BCMRRPTOSA-N
- SMILES
- [C@@H]1(O)OC=C(C(OC)=O)[C@@]2([H])CC=C(CO)[C@@]12[H]
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- rtecs
- GY5828000
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 29329990
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 3/14-36/37/39
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
응용 분야
용도Genipin is an active aglycone derived from geniposide, an iridoid glycoside found in the fruit of Gardenia jasminoides Ellis. It has been used in traditional Chinese medicine and is a hydrolytic product of geniposide. Genipin is also known for its inhibitory effect on uncoupling protein 2 (UCP2).
일반 설명Genipin is a natural cross linking agent, which is extracted from gardenia fruit. It prevents lipid peroxidation and production of nitric oxide. Genipin protects the hippocampal neurons from the toxicity of Alzheimer′s amyloid β protein. It has anti-inflammatory and anti-angiogenesis effects. Genipin is involved in drug delivery system.
상·하류 제품 정보
상류 원료
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
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