1.0 2010-04-08 22:06:42 UTC 2025-11-18 22:59:19 UTC FDB005459 Cadalene Cadalene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, cadalene is considered to be an isoprenoid lipid molecule. Cadalene can be found in a number of food items such as cloves, sugar apple, rosemary, and fig, which makes cadalene a potential biomarker for the consumption of these food products. Cadalene can be found primarily in saliva and urine. Cadalene exists in all eukaryotes, ranging from yeast to humans. Cadalene or cadalin (4-isopropyl-1,6-dimethylnaphthalene) is a polycyclic aromatic hydrocarbon with a chemical formula C15H18 and a cadinane skeleton. It is derived from generic sesquiterpenes, and ubiquitous in essential oils of many higher plants . 1,6-dimethyl-4-(1-methylethyl) naphthalene 1,6-Dimethyl-4-(1-methylethyl)naphthalene 1,6-Dimethyl-4-isopropylnaphthaIene 4-Isopropyl-1,6-dimethylnaphthalene Cadalene Cadalin Naphthalene, 1,6-dimethyl-4-(1-methylethyl)- Naphthalene, 4-isopropyl-1,6-dimethyl- C15H18 198.3034 198.140850576 1,6-dimethyl-4-(propan-2-yl)naphthalene cadalene CC(C)C1=C2C=C(C)C=CC2=C(C)C=C1 InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3 VMOJIHDTVZTGDO-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds Aromatic hydrocarbons Naphthalenes Polycyclic hydrocarbons Unsaturated hydrocarbons Aromatic homopolycyclic compound Aromatic hydrocarbon Benzenoid Cadinane sesquiterpenoid Hydrocarbon Naphthalene Polycyclic hydrocarbon Sesquiterpenoid Unsaturated hydrocarbon Cadinane sesquiterpenoids a sesquiterpenoid logp 5.70 ALOGPS logs -6.06 ALOGPS solubility 1.74e-04 g/l ALOGPS logp 5.23 ChemAxon iupac 1,6-dimethyl-4-(propan-2-yl)naphthalene ChemAxon average_mass 198.3034 ChemAxon mono_mass 198.140850576 ChemAxon smiles CC(C)C1=C2C=C(C)C=CC2=C(C)C=C1 ChemAxon formula C15H18 ChemAxon inchi InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3 ChemAxon inchikey VMOJIHDTVZTGDO-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.78 ChemAxon polarizability 24.86 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48951 Specdb::MsMs 48952 Specdb::MsMs 48953 Specdb::MsMs 161568 Specdb::MsMs 161569 Specdb::MsMs 161570 Specdb::MsMs 2659612 Specdb::MsMs 2659613 Specdb::MsMs 2659614 Specdb::MsMs 3019482 Specdb::MsMs 3019483 Specdb::MsMs 3019484 Specdb::CMs 2775 Specdb::CMs 146119 HMDB0059698 Anise Type 1 specific Pimpinella anisum 271192 Cloves Type 1 specific Syzygium aromaticum 219868 Fig Type 1 specific Ficus carica 3494 Rosemary Type 1 specific Rosmarinus officinalis 39367 Sugar apple Type 1 specific Annona squamosa 301693