Dihydroberberine
Grundinformationen
- CAS
120834-89-1- Standard-SMILES
COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1=C2)OCO4- InChIKey
FZAGOOYMTPGPGF-UHFFFAOYSA-N- Summenformel
- C20H19NO4
- Durchschnittliche Molmasse
- 337,4 g/mol
- Monoisotopische Masse
- 337,13140809
Namen und Bezeichner
- Bevorzugter Name
- Dihydroberberine
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
- Englischer Name
- dihydroberberine
- Summenformel
- C20H19NO4
- Molmasse
- 337.37
Namen und Synonyme
Dihydroberberine483-15-8Dihydroumbellatine7,8-Dihydroberberine16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaeneDTXSID7019747616,17-dimethoxy-5,7-dioxa-13-azapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(21),2,4(8),9,15(20),16,18-heptaeneRefChem:587701DTXCID80119967DihydroberbineLambertine9,10-Dimethoxy-6,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline
Weitere Namen anzeigen
Nsc331264DihyddroberberineDihydroberberine-RMdihydroberberine CASBerberine Dihydro ImpurityDihydroberberine (Standard)
lambertinDihydroberberine/dihydroumbellatine3btiBerberine, dihydro-MFCD000223129,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydroberbineBERBINE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine, 5,8-dihydro-9,10-dimethoxy-
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 40,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 538
Experimentelle und physikochemische Eigenschaften
Melting Point163 - 164 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 223 · 223-224℃ (dec.)
- Siedepunkt
- 557.8 · 557.8±50.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in DMSO
- pka
- 3.08 · 3.08±0.20(Predicted)
- Aggregatzustand
- crystals
- Farbe
- Yellow
- Wasserlöslichkeit
- 57.46 mg/l · Soluble to 57.46 mg/l in water
- InChI
- InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3
- InChIKey
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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
BeschreibungDihydroberberine: a natural derivative of BerberineDihydroberberine (DHB) is emerging as a popular supplement for its enhanced bioavailability and therapeutic efficacy compared to its precursor, Berberine. Berberine, a natural compound, has been widely used for its antimicrobial and anti-inflammatory properties. It has also shown promise in improving glucose and lipid metabolism, supporting cardiovascular health, and offering neuroprotective effects.
VerwendenDihydroberberine is a derivative Berberine (B318150), an isoqinoline alkaloid shown to have a chemopreventive property against colon tumor formation by inhibiting the enzyme cyclooxygenase-2 (cox-2) which is abundantly expressed in colon cancer cells.
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