Baicalin

• CAS: 21967-41-9
• Catalog Number: ACM21967419
• Category: Inhibitors
• Molecular Weight: 446.36
• Molecular Formula: C21H18O11
• Description: Baicalin, as a flavonoid glycoside, is an allosteric carnitine palmityl transferase 1 (CPT1) activator. Baicalin reduces the expression of NF-κB.
• Synonyms: Baicalein 7-O-glucuronide
• IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
• InChI: InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
• InChI Key: IKIIZLYTISPENI-ZFORQUDYSA-N
• Boiling Point: 836.6±65.0 °C
• Melting Point: 202-205 °C(lit.)
• Flash Point: 297.2 °C
• Density: 1.737±0.06 g/cm³
• Appearance: Solid
• Storage: 2-8 °C
• Complexity: 748
• Exact Mass: 446.08491139
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
• Monoisotopic Mass: 446.08491139
• pKa: 2.72±0.70(Predicted)
• Refractive Index: 1.739
• Topological Polar Surface Area: 183 Ų