Compound: ASCARIDOLE
SMILES: O1OC2(C=CC1(C(C)C)CC2)C
InChIKey: MGYMHQJELJYRQS-UHFFFAOYSA-N
Synonyms: ASCARIDOLE, 512-85-6, Ascaridol, 1,4-Peroxido-p-menthene-2, 1,4-Peroxy-p-menth-2-ene, 1,4-Epidioxy-p-menth-2-ene, Ascaricum, Ascarisin, Askaridol, 2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-methyl-4-(1-methylethyl)-, 1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo(2.2.2)oct-5-ene, 1-methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene, CHEBI:2866, 1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene, 2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-methyl-4-(1-methylethyl)-, NSC-406266, NSC-406924, p-Menth-2-ene, 1,4-epidioxy-, 1-methyl-4-propan-2-yl-2,3-dioxabicyclo(2.2.2)oct-5-ene, RefChem:28533, 208-147-4, 1718D0GEVJ, Boldo ascaridole, Ascaridiol, cis-Ascaridole, 1-methyl-4-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene, 1,4-Epidioxy-2-p-menthene, 1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene, NSC 406266, 2, 1-isopropyl-4-methyl-, p-Menth-2-ene,4-epidioxy-, 4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene, 2, 1-methyl-4-(1-methylethyl)-, WLN: T66 A B AO BO DUTJ CY F, 2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-isopropyl-4-methyl-, Ascaridole (organic peroxide) [Forbidden], 1-Isopropyl-4-methyl-2,3-Dioxabicyclo(2.2.2)oct-5-ene, Uncinacina, Ascapurin, DTXSID90871726, Kebal II, SCHEMBL156673, 1, 4-Peroxy-p-menth-2-ene, CHEMBL467614, orb1702530, 1, 4-Epidioxy-p-menth-2-ene, NSC406266, NSC406924, AKOS004910035, EBC-616541, FA179595, TS-08412, HY-118494, CS-0066135, NS00010548, C09836, G86204, Q419442, 1-isopropyl-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene, 1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene #, 1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene, 9CI
Theoretical properties:
molecular_formula: C10H16O2
molecular_weight: 168.23 g/mol
exact_mass: 168.115029749 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 18.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 112.00 to 115.00 °C. @ 20.00 mm Hg
melting_point: 3.3 °C
Descriptions:
pubchem: Ascaridole is a p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. It has a role as an antinematodal drug, an antileishmanial agent and a plant metabolite. It is a p-menthane monoterpenoid, an organic peroxide and an organic heterobicyclic compound.
chebi: A <em>p</em>-menthane monoterpenoid that is <em>p</em>-menth-2-ene with a peroxy group across position 1 to 4.
chembl: ASCARIDOLE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Ascaridole is a natural organic compound classified as a bicyclic monoterpenoid that has an unusual bridging peroxide functional group. It is a colorless liquid with a pungent smell and taste that is soluble in most organic solvents. Like other low molecular weight organic peroxides, it is unstable and prone to rapid decomposition when heated or treated with organic acids. Ascaridole determines the specific flavor of the Chilean tree boldo and is a major constituent of the oil of Mexican tea (wormseed). It is a component of natural medicine, tonic drinks and food flavoring in Latin American cuisine. As part of the oil, ascaridole is used as an anthelmintic drug that expels parasitic worms from plants, domestic animals, and the human body.