기본 정보
- CAS
15291-75-5- 표준 SMILES
C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@]21O- InChIKey
FPUXKXIZEIDQKW-VKMVSBOZSA-N- 분자식
- C20H24O9
- 평균 분자량
- 408.4 g/mol
- 단동위원소 질량
- 408.14203234
개요
Ginkgolide A is a highly active PAF antagonist cage molecule that is isolated from the leaves of the Ginkgo biloba tree. Shows potential in a wide variety of inflammatory and immunological disorders.
이름 및 식별자
- 우선 이름
- Ginkgolide A
- IUPAC
- (1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
- 영어명
- Ginkgolide A
- 분자식
- C20H24O9
- 분자량
- 408.4
이름 및 동의어
Ginkgolide A15291-75-5ginkgolide-ATAZ2DPR77BBN-52020BN52020DTXSID108732229H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta(c)furo(2,3-b)furo(3',2':3,4)cyclopenta(1,2-d)furan-5,9,12(4H)-trione, 3-(1,1-dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-, (1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)-(1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione(1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo(8.7.2.01,11.03,7.07,11.013,17)nonadecane-5,15,18-trioneRefChem:37146DTXCID40820729
이름 더 보기
lide ABN 5202AGinkgolidPRIMULIC ACID 1GINKGOBILOBAP.E.GINKGOLIDE A(SH)Ginkgolide A (ZCI)1,7-DIDEOXYGINKGOLIDE C
(1R,3R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo(8.7.2.0^(1,11).0^(3,7).0^(7,11).0^(13,17))nonadecane-5,15,18-trione6H-9,4a-(Epoxymethano)-3aH,9H-cyclopenta(c)furo(2,3-b)furo(3',2':3,4)cyclopenta(1,2-d)furan-2,6,13(1H)-trione, 11-(1,1-dimethylethyl)hexahydro-1,4b-dihydroxy-5-methyl-, (3aR,4aR,4bR,5S,7aS,8aS,9R,11S, 11aS)-(1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo(8.7.2.01,11.03,?.0?,11.013,1?)nonadecane-5,15,18-trione8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo(8.7.2.01,11.03,7.07,11.013,17)nonadecane-5,15,18-trioneCHEMBL465161UNII-TAZ2DPR77BBN 52020gingkolide A
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 893
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 280 °C · 280°C (dec.)
- 끓는 점
- 710.1 · 710.1±60.0 °C(Predicted)
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 11.45 · 11.45±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- InChIKey
- FPUXKXIZEIDQKW-VKMVSBOZSA-N
- SMILES
- C123C(=O)O[C@]4([H])C[C@@H](C(C)(C)C)C5(C41C[C@]1([H])OC(=O)[C@@H](C)[C@@]12O)[C@@](O3)([H])OC([C@@H]5O)=O
- LogP
- 0.159 · 0.159 (est)
화학적 성질
Crystalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationGinkgolide A: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29322090
- safety_code
- 24/25
- F 고인화성물질
- 10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Family of bioactive terpenes treating cardiovascular and cerebrovascular diseases. Specific platelet activating factor (PAF) antagonists
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
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