Ginkgolide A
Grundinformationen
- CAS
15291-75-5- Standard-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- Summenformel
- C20H24O9
- Durchschnittliche Molmasse
- 408,4 g/mol
- Monoisotopische Masse
- 408,14203234
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 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
- Englischer Name
- Ginkgolide A
- Summenformel
- C20H24O9
- Molmasse
- 408.4
Namen und Synonyme
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
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 129 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 893
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 280 °C · 280°C (dec.)
- Siedepunkt
- 710.1 · 710.1±60.0 °C(Predicted)
- Dichte
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- Soluble in DMSO
- pka
- 11.45 · 11.45±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- 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)
- CAS Datenbank
- 15291 · 15291-75-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- hs_code
- 29322090
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenFamily of bioactive terpenes treating cardiovascular and cerebrovascular diseases. Specific platelet activating factor (PAF) antagonists
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