Cedrol

• CAS: 77-53-2
• Catalog Number: ACM77532
• Category: Inhibitors
• Molecular Weight: 222.37
• Molecular Formula: C15H26O
• Description: Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities.
• Synonyms: Cypress camphor
• IUPAC Name: (1S,2R,5S,7R,8R)-2,6,6,8-Tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
• Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
• InChI: InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
• InChI Key: SVURIXNDRWRAFU-OGMFBOKVSA-N
• Boiling Point: 273 °C(lit.)
• Melting Point: 55-59 °C(lit.)
• Flash Point: 200 °F
• Density: 0.9479 g/cm³
• Solubility: Soluble in DMSO
• Appearance: Pale yellow to yellow green solid
• Storage: 2-8 °C
• Complexity: 321
• Exact Mass: 222.198365449
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)O
• Monoisotopic Mass: 222.198365449
• Physical State: Crystals
• pKa: 15.35±0.60(Predicted)
• Refractive Index: n20/D1.509-1.515
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 20.2 Ų