1.0 2010-04-08 22:04:54 UTC 2020-02-24 19:10:21 UTC FDB001258 Coriandrone E Constituent of Coriandrum sativum (coriander) (Umbelliferae). Coriandrone E is found in coriander and herbs and spices. 7,8-Dihydro-8-hydroxy-4-methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one C13H12O5 248.2314 248.068473494 13-hydroxy-8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one 13-hydroxy-8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one 177795-34-5 COC1=C2C=COC2=CC2=C1C(=O)OC(C)C2O InChI=1S/C13H12O5/c1-6-11(14)8-5-9-7(3-4-17-9)12(16-2)10(8)13(15)18-6/h3-6,11,14H,1-2H3 FDLXWTAXBWPMFB-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. 2-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 2-benzopyrans Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Benzofurans Carboxylic acid esters Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols 2-benzopyran Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Carboxylic acid derivative Carboxylic acid ester Ether Furan Heteroaromatic compound Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol logp 1.51 ALOGPS logs -2.36 ALOGPS solubility 1.08e+00 g/l ALOGPS melting_point Mp 148-150° logp 1.32 ChemAxon pka_strongest_acidic 12.99 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 13-hydroxy-8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one ChemAxon average_mass 248.2314 ChemAxon mono_mass 248.068473494 ChemAxon smiles COC1=C2C=COC2=CC2=C1C(=O)OC(C)C2O ChemAxon formula C13H12O5 ChemAxon inchi InChI=1S/C13H12O5/c1-6-11(14)8-5-9-7(3-4-17-9)12(16-2)10(8)13(15)18-6/h3-6,11,14H,1-2H3 ChemAxon inchikey FDLXWTAXBWPMFB-UHFFFAOYSA-N ChemAxon polar_surface_area 68.9 ChemAxon refractivity 62.32 ChemAxon polarizability 24.22 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22273 Specdb::CMs 41674 Specdb::CMs 136012 Specdb::CMs 143746 Specdb::MsMs 108801 Specdb::MsMs 108802 Specdb::MsMs 108803 Specdb::MsMs 176112 Specdb::MsMs 176113 Specdb::MsMs 176114 Specdb::MsMs 2351062 Specdb::MsMs 2351063 Specdb::MsMs 2351064 Specdb::MsMs 2583878 Specdb::MsMs 2583879 Specdb::MsMs 2583880 HMDB29971 Coriander Type 1 specific Coriandrum sativum 4047 Herbs and Spices Unknown generic