Tectorigenin
Grundinformationen
- CAS
548-77-6- Standard-SMILES
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O- InChIKey
OBBCRPUNCUPUOS-UHFFFAOYSA-N- Summenformel
- C16H12O6
- Durchschnittliche Molmasse
- 300,26 g/mol
- Monoisotopische Masse
- 300,0633881
Überblick
Tectorigenin is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. It has a role as an anti-inflammatory agent and a plant metabolite. It is a methoxyisoflavone and a member of 7-hydroxyisoflavones. It is functionally related to an isoflavone.
Namen und Bezeichner
- Bevorzugter Name
- Tectorigenin
- IUPAC
- 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
- Englischer Name
- Tectorigenin
- Summenformel
- C16H12O6
- Molmasse
- 300.26
Namen und Synonyme
Tectorigenin548-77-64',5,7-Trihydroxy-6-methoxyisoflavoneK 251T5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one5,7,4'-Trihydroxy-6-methoxyisoflavone5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one4',5',7-trihydroxy-6-methoxyisoflavoneDTXSID50203286855130H9COCHEBI:9429RefChem:187696
Weitere Namen anzeigen
TectrigeninTectorigenin, 10 mM in DMSO5,7-Dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromone5,7-Dihydroxy-3-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one6-Methoxy-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
DTXCID501257775,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-oneTectorigenineMFCD005970944H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-KBioSS_001241CHEMBL242740GTPL9738
Datenbank-Bezeichner
- CAS
548-77-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 96,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 454
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 · 225-226°
- Siedepunkt
- 361.5 °C · 361.5°C (rough estimate)
- Dichte
- 1.512 · 1.512
- Brechungsindex
- 1.46 · 1.4600 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- 150 mg/mL · DMSO : 150 mg/mL (499.57 mM; Need ultrasonic and warming)
- Aggregatzustand
- powder to crystal
- pka
- 6.49 · 6.49±0.20(Predicted)
- Farbe
- White to Orange to Green
- BRN
- 305601 · 305601
- InChI
- InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
- InChIKey
- OBBCRPUNCUPUOS-UHFFFAOYSA-N
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932.99.6100
- RTECS-Nr.
- NR2400000
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
BeschreibungTectorigenin is an isoflavone that exists in numerous plant resources, and it is especially abundant in Belamcandae Rhizoma and Puerariae flos, which both have the effects of clearing away heat, removing toxic substances, relieving sore throat, and reducing swelling. As one of the most important active ingredients, the pharmacological effects of tectorigenin have been demonstrated by an increasing number of investigators. Due to its extensive pharmacological activities, including anticancer, antioxidation, hepatoprotection, anti-inflammation, etc., tectorigenin has received a large amount of attention[1].
VerwendenTectorigenin is identified as an α-glucosidase inhibitors. Potent lactate dehydrogenase (LDH) inhibitor.
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