1.0 2010-04-08 22:11:04 UTC 2019-11-26 03:09:29 UTC FDB014074 Cartorimine Constituent of Carthamus tinctorius (safflower). Cartorimine is found in fats and oils and herbs and spices. C15H14O6 290.2681 290.07903818 1-(hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid 1-(hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid OCC12OC(C(C1C1=CC=C(O)C=C1)C(O)=O)C(=O)C=C2 InChI=1S/C15H14O6/c16-7-15-6-5-10(18)13(21-15)11(14(19)20)12(15)8-1-3-9(17)4-2-8/h1-6,11-13,16-17H,7H2,(H,19,20) IJGLRFRYPAUECC-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Dihydropyranones Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Primary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Alcohol Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Dihydropyranone Ether Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phenol Primary alcohol Tetrahydrofuran logp 1.04 ALOGPS logs -1.88 ALOGPS solubility 3.82e+00 g/l ALOGPS melting_point Mp 206-207° logp 0.8 ChemAxon pka_strongest_acidic 3.84 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 1-(hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid ChemAxon average_mass 290.2681 ChemAxon mono_mass 290.07903818 ChemAxon smiles OCC12OC(C(C1C1=CC=C(O)C=C1)C(O)=O)C(=O)C=C2 ChemAxon formula C15H14O6 ChemAxon inchi InChI=1S/C15H14O6/c16-7-15-6-5-10(18)13(21-15)11(14(19)20)12(15)8-1-3-9(17)4-2-8/h1-6,11-13,16-17H,7H2,(H,19,20) ChemAxon inchikey IJGLRFRYPAUECC-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 72.25 ChemAxon polarizability 27.66 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13150 Specdb::CMs 44374 Specdb::CMs 135303 Specdb::CMs 143037 Specdb::NmrOneD 131218 Specdb::NmrOneD 131219 Specdb::NmrOneD 131220 Specdb::NmrOneD 131221 Specdb::NmrOneD 131222 Specdb::NmrOneD 131223 Specdb::NmrOneD 131224 Specdb::NmrOneD 131225 Specdb::NmrOneD 131226 Specdb::NmrOneD 131227 Specdb::NmrOneD 131228 Specdb::NmrOneD 131229 Specdb::NmrOneD 131230 Specdb::NmrOneD 131231 Specdb::NmrOneD 131232 Specdb::NmrOneD 131233 Specdb::NmrOneD 131234 Specdb::NmrOneD 131235 Specdb::NmrOneD 131236 Specdb::NmrOneD 131237 Specdb::MsMs 73983 Specdb::MsMs 73984 Specdb::MsMs 73985 Specdb::MsMs 133251 Specdb::MsMs 133252 Specdb::MsMs 133253 Specdb::MsMs 2445592 Specdb::MsMs 2445593 Specdb::MsMs 2445594 Specdb::MsMs 2517195 Specdb::MsMs 2517196 Specdb::MsMs 2517197 HMDB35399 #<Reference:0x000055ce32f503d8> Fats and oils Unknown generic Herbs and Spices Unknown generic