1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:26 UTC FDB020780 Coixinden A Constituent of Coix lacrima-jobi variety ma-yuen. Coixinden A is found in tea, alcoholic beverages, and coffee and coffee products. 3,5-Dimethoxy-1H-inden-1-one Coixinden A C11H10O3 190.1953 190.062994186 3,5-dimethoxy-1H-inden-1-one 3,5-dimethoxyinden-1-one 149665-18-9 COC1=CC(=O)C2=C1C=C(OC)C=C2 InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3 XYQHDIQOTJVFDF-UHFFFAOYSA-N belongs to the class of organic compounds known as indenes and isoindenes. Indenes and isoindenes are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring). Indenes and isoindenes Organic compounds Benzenoids Indenes and isoindenes Aromatic homopolycyclic compounds Alkyl aryl ethers Anisoles Aryl ketones Hydrocarbon derivatives Organic oxides Vinylogous esters Alkyl aryl ether Anisole Aromatic homopolycyclic compound Aryl ketone Ether Hydrocarbon derivative Indene Ketone Organic oxide Organic oxygen compound Organooxygen compound Vinylogous ester indene logp 1.86 ALOGPS logs -2.55 ALOGPS solubility 5.33e-01 g/l ALOGPS melting_point Mp 183° dec. logp 1.12 ChemAxon pka_strongest_acidic 15.53 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 3,5-dimethoxy-1H-inden-1-one ChemAxon average_mass 190.1953 ChemAxon mono_mass 190.062994186 ChemAxon smiles COC1=CC(=O)C2=C1C=C(OC)C=C2 ChemAxon formula C11H10O3 ChemAxon inchi InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3 ChemAxon inchikey XYQHDIQOTJVFDF-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 53.93 ChemAxon polarizability 19.56 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 322945 Specdb::MsMs 322946 Specdb::MsMs 322947 Specdb::MsMs 370981 Specdb::MsMs 370982 Specdb::MsMs 370983 Specdb::MsMs 2297992 Specdb::MsMs 2297993 Specdb::MsMs 2297994 Specdb::MsMs 2636875 Specdb::MsMs 2636876 Specdb::MsMs 2636877 Specdb::CMs 25700 Specdb::CMs 162423 Specdb::MsIr 9101 Specdb::MsIr 9102 HMDB40938 #<Reference:0x000055ce324cab70> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442