1.0 2010-04-08 22:06:56 UTC 2025-11-18 23:00:39 UTC FDB005988 Chamaviolin Chamaviolin is a member of the class of compounds known as guaianes. Guaianes are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Chamaviolin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Chamaviolin can be found in german camomile, which makes chamaviolin a potential biomarker for the consumption of this food product. C14H14O 198.2604 198.10446507 7-ethyl-4-methylazulene-1-carbaldehyde 7-ethyl-4-methylazulene-1-carbaldehyde CCC1=CC2=C(C=O)C=CC2=C(C)C=C1 InChI=1S/C14H14O/c1-3-11-5-4-10(2)13-7-6-12(9-15)14(13)8-11/h4-9H,3H2,1-2H3 XFHWXYVBANNUFH-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Guaianes Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds Aryl-aldehydes Azulenes Hydrocarbon derivatives Organic oxides Aldehyde Aromatic homopolycyclic compound Aryl-aldehyde Azulene Guaiane sesquiterpenoid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 3.48 ALOGPS logs -3.01 ALOGPS solubility 1.94e-01 g/l ALOGPS logp 4.15 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 7-ethyl-4-methylazulene-1-carbaldehyde ChemAxon average_mass 198.2604 ChemAxon mono_mass 198.10446507 ChemAxon smiles CCC1=CC2=C(C=O)C=CC2=C(C)C=C1 ChemAxon formula C14H14O ChemAxon inchi InChI=1S/C14H14O/c1-3-11-5-4-10(2)13-7-6-12(9-15)14(13)8-11/h4-9H,3H2,1-2H3 ChemAxon inchikey XFHWXYVBANNUFH-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 63.78 ChemAxon polarizability 23.14 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68160 Specdb::MsMs 68161 Specdb::MsMs 68162 Specdb::MsMs 126135 Specdb::MsMs 126136 Specdb::MsMs 126137 Specdb::MsMs 3602387 Specdb::MsMs 3602388 Specdb::MsMs 3602389 Specdb::MsMs 3603317 Specdb::MsMs 3603318 Specdb::MsMs 3603319 German camomile Type 1 specific Matricaria recutita 127986