1.0 2010-04-08 22:11:48 UTC 2019-11-26 03:11:31 UTC FDB015363 1,4-Dimethyl-7-ethylazulene Isol. as artifact from various sesquiterpene oils, e.g. from Achillea and Artemisia subspecies 1,4-Dimethyl-7-ethylazulene is found in roman camomile, german camomile, and anise. 1,4-Dimethyl-7-ethyl-azulene 7-Ethyl-1,4-dimethyl-azulene 7-Ethyl-1,4-dimethylazulene Azulene, 1,4-dimethyl-7-ethyl- Azulene, 7-ethyl-1,4-dimethyl- Camazulene Chamazulen Chamazulene Dimethulen Dimethulene Dimethwlen Lindazulene C14H16 184.2768 184.125200512 7-ethyl-1,4-dimethylazulene chamazulene 529-05-5 CCC1=CC2=C(C)C=CC2=C(C)C=C1 InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3 GXGJIOMUZAGVEH-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 Aromatic hydrocarbons Azulenes Polycyclic hydrocarbons Aromatic homopolycyclic compound Aromatic hydrocarbon Azulene Guaiane sesquiterpenoid Hydrocarbon Polycyclic hydrocarbon Unsaturated hydrocarbon Guaiane sesquiterpenoids Guaiane sesquiterpenoids Sesquiterpenoids (C15) sesquiterpenoid logp 4.80 ALOGPS logs -2.92 ALOGPS solubility 2.24e-01 g/l ALOGPS melting_point < 25 oC logp 4.95 ChemAxon iupac 7-ethyl-1,4-dimethylazulene ChemAxon average_mass 184.2768 ChemAxon mono_mass 184.125200512 ChemAxon smiles CCC1=CC2=C(C)C=CC2=C(C)C=C1 ChemAxon formula C14H16 ChemAxon inchi InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3 ChemAxon inchikey GXGJIOMUZAGVEH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 62.23 ChemAxon polarizability 23.05 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11882 Specdb::CMs 169607 Specdb::MsMs 104802 Specdb::MsMs 104803 Specdb::MsMs 104804 Specdb::MsMs 171147 Specdb::MsMs 171148 Specdb::MsMs 171149 Specdb::MsMs 2342457 Specdb::MsMs 2342458 Specdb::MsMs 2342459 Specdb::MsMs 2595676 Specdb::MsMs 2595677 Specdb::MsMs 2595678 HMDB36470 #<Reference:0x000055ce3008bc00> Anise Type 1 specific Pimpinella anisum 271192 German camomile Type 1 specific Matricaria recutita 127986 Roman camomile Type 1 specific Chamaemelum nobile 99037 Analgesic 56 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. Anti leukotriene 399 A substance that diminishes the rate of a chemical reaction. Anti pyretic 567 A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-allergic 103 A drug used to treat allergic reactions. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Vulnerary 1430 A drug used in treating and healing of wounds.