Compound: Cedrol
SMILES: O[C@]1([C@H]2C([C@@H]3CC[C@H]([C@@]3(C2)CC1)C)(C)C)C
InChIKey: SVURIXNDRWRAFU-OGMFBOKVSA-N
Synonyms: Cedrol, alpha-Cedrol, 8betaH-Cedran-8-ol, cedar camphor, a-Cedrol, (8R)-cedran-8-ol, 8-betaH-Cedran-8-ol, CYPRESS CAMPHOR, 63ZM9703BO, NSC-403883, CHEBI:10217, (1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol, [3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol, (3R-(3alpha,3Abeta,6alpha,7beta,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol, (1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo(5.3.1.01,5)undecan-8-ol, RefChem:124189, 201-035-6, (+)-Cedrol, 77-53-2, MFCD00062952, 8.beta.H-Cedran-8-ol, CHEMBL1974890, DTXSID1041269, NSC403883, Cedrol (natural), .alpha.-Cedrol, 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-, EINECS 201-035-6, NSC 403883, Cedorol, UNII-63ZM9703BO, AI3-02178, (1S,2R,5S,7R,8R)-2,6,6,8-Tetramethyltricyclo[5.3.1.01.5]undecan-8-ol, Cedrol (Standard), 1H-3a, octahydro-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,6.alpha.,7.beta.,8a.alpha.)]-, Cedrol, redistilled, cedrol-(+), 8alpha-Cedran-8-ol, (+)-Cedrol;-Cedrol, CEDROL [MI], (+)-Cedrol,|A-Cedrol, SCHEMBL107488, (7beta,8alpha)-cedran-8-ol, DTXCID9021269, FEMA NO. 4503, HSDB 8265, HY-N2071R, (+)-Cedrol, analytical standard, (3R,3aS,6R,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol, AAA07753, HY-N2071, NSC46153, Tox21_202945, BDBM50430739, MSK014229, NSC-46153, s4938, AKOS024319138, CCG-266739, EBC-618490, LMPR0103690007, CAS-77-53-2, NCGC00260491-01, AC-34891, AS-13700, NCI60_003818, C2854, CS-0018576, NS00075618, C09631, (+)-Cedrol, >=99.0% (sum of enantiomers, GC), Q1052617, BRD-K96362839-001-01-9, (1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0,1,5]undecan-8-ol, (3R,3aR,6R,7R,8aS)-3,6,8,8-Tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol, 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-,(3a,3ab,6a,7b,8aa)-, (3R-(3.ALPHA.,3A.BETA.,6.ALPHA.,7.BETA.,8A.ALPHA.))-OCTAHYDRO-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULEN-6-OL, [3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-Octa-hydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol, 22567-44-8
Theoretical properties:
molecular_formula: C15H26O
molecular_weight: 222.37 g/mol
exact_mass: 222.198365449 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 16
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Needles from dilute methanol
color: Needles from dilute methanol
odor: Woody-earthy
boiling_point: 286 °C
melting_point: 86 °C
density: 0.9479 g/cu cm at 90 °C
solubility: Soluble in benzyl benzoate, slightly soluble in glycol and mineral oil
Descriptions:
pubchem: Cedrol is a tertiary alcohol and a cedrane sesquiterpenoid.
chembl: CEDROL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cedrol is a sesquiterpene alcohol found in the essential oil of conifers (cedar oil), especially in the genera Cupressus (cypress) and Juniperus (juniper). It has also been identified in Origanum onites, a plant related to oregano. Its main uses are in the chemistry of aroma compounds. It makes up about 19% of cedarwood oil Texas and 15.8% of cedarwood oil Virginia.
Cedrol has not been proven to be toxic in humans. It has been shown to have antioxidant and antiinflammatory along with other beneficial effects. In skin sensitization tests 2/20 people showed negative effects, and on the second test there was no sensitivity found. This compound and ones similar have been found to have antiseptic, anti-inflammatory, antispasmodic, tonic, astringent, diuretic, sedative, insecticidal, and antifungal activities in vitro. These compounds are used globally in traditional medicine and cosmetics. Results of a 2015 study suggest that cedrol strongly attracts pregnant female mosquitoes after they have fed, which can be used to create cedrol-baited traps.