Reticuline

• CAS: 485-19-8
• Catalog Number: ACM485198
• Category: Inhibitors
• Molecular Weight: 329.39
• Molecular Formula: C19H23NO4
• Description: Reticuline shows anti-inflammatory effects through JAK2/STAT3 and NF-κB signaling pathways. Reticuline inhibits mRNA expressions of TNF-α, and IL-6 and reduces the phosphorylation levels of JAK2 and STAT3. Reticuline exhibits cardiovascular effects.
• Synonyms: 2-Methoxy-5-[[(1S)-2-methyl-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline]-1-ylmethyl]phenol
• IUPAC Name: (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
• Canonical SMILES: CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC
• InChI: InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
• InChI Key: BHLYRWXGMIUIHG-HNNXBMFYSA-N
• Boiling Point: 648.96 °C
• Melting Point: 125-126 °C
• Density: 1.44 g/ml
• Appearance: Powder
• Complexity: 407
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 329.16270821
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC
• Monoisotopic Mass: 329.16270821
• Physical State: Powder
• pKa: 9.95±0.10
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 62.2 Ų