Purpurogallin
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Grundinformationen
- CAS
569-77-7- Standard-SMILES
O=c1c(O)cccc2cc(O)c(O)c(O)c12- InChIKey
WDGFFVCWBZVLCE-UHFFFAOYSA-N- Summenformel
- C11H8O5
- Durchschnittliche Molmasse
- 220,18 g/mol
Überblick
Purpurogallin is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antioxidant, an antibacterial agent, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a member of phenols and a cyclic ketone. It derives from a hydride of a 5H-benzocycloheptene.
Namen und Bezeichner
- Bevorzugter Name
- Purpurogallin
- IUPAC
- 2,3,4,6-tetrahydroxybenzo[7]annulen-5-one
Namen und Synonyme
purpurogallin569-77-72,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-oneCHEBI:86472,3,4,6-Tetrahydroxy-5H-benzocycloheptene-5-oneNSC-35676NSC-6466532,3,4,5-tetrahydroxybenzo[7]annulen-6-one2,3,4,5-tetrahydroxybenzo(7)annulen-6-one2,3,4,6-tetrahydroxybenzo(7)annulen-5-one2,3,4,6-tetrahydroxybenzo[7]annulen-5-one2,3,4,6-tetrahydroxy-5H-benzo(7)annulen-5-one
Weitere Namen anzeigen
RefChem:177322DTXCID40127927209-324-92,3,4,6-Tetrahydroxy-5H-benzocyclohepten-5-oneDTXSID40205436L3Z7U4N28PPurpurogallineMLS000738105
Datenbank-Bezeichner
- CAS
569-77-7- PubChem CID
- 135403797
- ChEMBL
CHEMBL66953- ChEBI
CHEBI:8647- EC Number
- 209-324-9
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 98 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 359
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Collision Cross Section139.48 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Substances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods.
Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.
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