Grundinformationen
- CAS
480-41-1- Standard-SMILES
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21- InChIKey
FTVWIRXFELQLPI-UHFFFAOYSA-N- Summenformel
- C15H12O5
- Durchschnittliche Molmasse
- 272,25 g/mol
- Monoisotopische Masse
- 272,06847348
Überblick
Naringenin is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'. It is a member of 4'-hydroxyflavanones and a trihydroxyflavanone.
Namen und Bezeichner
- Bevorzugter Name
- (+-)-Naringenin
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
- Lokaler Name
- 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-on
- Englischer Name
- (±)-Naringenin
- Summenformel
- C15H12O5
- Molmasse
- 272.25
Namen und Synonyme
67604-48-25,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one(+-)-naringeninDTXSID50274239RefChem:528240DTXCID50196624266-769-1(+/-)-Naringenin4',5,7-Trihydroxyflavanonerac Naringenin( inverted exclamation markA)-Naringenin93602-28-9
Weitere Namen anzeigen
()-NaringeninD4-NaringeninBE-14348ANaringenin-RM(±)-NaringeninTIMTEC-BB SBB006461Naringenin Standard
(R,S)-NaringeninNaringenin (NAR)(-)-Naringenin5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneMFCD00006844NSC34875EINECS 266-769-14',7-Trihydroxyflavanone
Datenbank-Bezeichner
- CAS
480-41-1、67604-48-2- PubChem CID
- 932
- DTXSID
DTXSID50274239- ChEMBL
CHEMBL32571
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 363
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
163.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID50274239]
160.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
158.98 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
167.96 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
Physikochemische Eigenschaften
- Schmelzpunkt
- 247 · 247-250 °C (lit.)
- Siedepunkt
- 577.5 · 577.5±50.0 °C(Predicted)
- Dichte
- 1.485 · 1.485
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 7.52 · 7.52±0.40(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Pale Yellow to Pale Brown
- Biologische Quelle
- Citrus paradisi Macf.
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 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Regulation (EC) No 1331/2008
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-: 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 (97.8%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3077
- hs_code
- 29329990
- RTECS-Nr.
- DJ2981530
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesNarigenin has known human metabolites that include Narigenin 7-O-glucuronide.
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