Cedrol

Catalog	ACM77532
CAS	77-53-2
Structure
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
Molecular Weight	222.37
Molecular Formula	C15H26O
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
Purity	99%
Density	0.9479 g/cm³
Solubility	Soluble in DMSO
Appearance	Pale yellow to yellow green solid
Storage	2-8 °C
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
Refractive Index	n20/D1.509-1.515
Storage Conditions	2-8 °C
Topological Polar Surface Area	20.2 Ų