Juglone
Grundinformationen
- CAS
481-13-0- Standard-SMILES
O=C1C=CC(=O)c2c(O)cccc21- InChIKey
KQPYUDDGWXQXHS-UHFFFAOYSA-N- Summenformel
- C10H6O3
- Durchschnittliche Molmasse
- 174,15 g/mol
Überblick
Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. It has a role as a geroprotector, a herbicide and a reactive oxygen species generator.
Namen und Bezeichner
- Bevorzugter Name
- Juglone
- IUPAC
- 5-hydroxynaphthalene-1,4-dione
- Englischer Name
- JUGLONE CRYSTALLIZED
- Summenformel
- C10H6O3
- Molmasse
- 174.15284
Namen und Synonyme
juglone481-39-05-Hydroxy-1,4-naphthoquinone5-Hydroxy-1,4-naphthalenedione5-Hydroxynaphthalene-1,4-dioneRegianinNucin8-Hydroxy-1,4-naphthoquinoneC.I. Natural Brown 7C.I. 75500W6Q80SK9L6DTXSID0031504
Weitere Namen anzeigen
5-Hydroxy-1,4-naphthoquinone,crystallized
CHEBI:15794NSC-153189NSC-622948RefChem:792551DTXCID8011504207-567-5JuglonAkhnot
Datenbank-Bezeichner
- CAS
481-13-0- ChEMBL
CHEMBL43612- ChEBI
CHEBI:15794- UNII
- W6Q80SK9L6
- EC Number
- 207-567-5
- Nikkaji
- J5.777K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 280
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
LogP
1.92
1.92
Melting Point155 °C
Physical DescriptionSolid
Collision Cross Section
131.2 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
130.8 Ų [M-H]-
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information1,4-Naphthalenedione, 5-hydroxy-: 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 CategoriesAcute Tox. 3 (100%)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Substances that are toxic to cells; they may be involved in immunity or may be contained in venoms. These are distinguished from CYTOSTATIC AGENTS in degree of effect. Some of them are used as CYTOTOXIC ANTIBIOTICS. The mechanism of action of many of these are as ALKYLATING AGENTS or MITOSIS MODULATORS.
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.
Cellular LocationsCytoplasm
Anbieter2 Anbieter
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
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