1.0 2010-04-08 22:12:11 UTC 2019-11-26 03:12:36 UTC FDB016009 Deoxyloganic acid Constituent of Nepeta cataria (catnip). Deoxyloganic acid is found in tea and herbs and spices. 1,5,9-Epideoxyloganic acid 5-Epideoxyloganic acid 8-epideoxyloganic Acid Deoxyloganic acid tetraacetate C16H24O9 360.3564 360.142032366 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid 92842-56-3 CC1CCC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22) DSXFHNSGLYXPNG-UHFFFAOYSA-N belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. Iridoid O-glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Bicyclic monoterpenoids Carbonyl compounds Carboxylic acids Hexoses Hydrocarbon derivatives Iridoids and derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Vinylogous esters Acetal Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Iridoid o-glycoside Iridoid-skeleton Monocarboxylic acid or derivatives Monosaccharide Monoterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Vinylogous ester logp -1.09 ALOGPS logs -1.25 ALOGPS solubility 2.03e+01 g/l ALOGPS melting_point Mp 106° dec. logp -0.91 ChemAxon pka_strongest_acidic 4.33 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid ChemAxon average_mass 360.3564 ChemAxon mono_mass 360.142032366 ChemAxon smiles CC1CCC2C1C(OC1OC(CO)C(O)C(O)C1O)OC=C2C(O)=O ChemAxon formula C16H24O9 ChemAxon inchi InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22) ChemAxon inchikey DSXFHNSGLYXPNG-UHFFFAOYSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 81.11 ChemAxon polarizability 35.6 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 138470 Specdb::NmrOneD 138471 Specdb::NmrOneD 138472 Specdb::NmrOneD 138473 Specdb::NmrOneD 138474 Specdb::NmrOneD 138475 Specdb::NmrOneD 138476 Specdb::NmrOneD 138477 Specdb::NmrOneD 138478 Specdb::NmrOneD 138479 Specdb::NmrOneD 138480 Specdb::NmrOneD 138481 Specdb::NmrOneD 138482 Specdb::NmrOneD 138483 Specdb::NmrOneD 138484 Specdb::NmrOneD 138485 Specdb::NmrOneD 138486 Specdb::NmrOneD 138487 Specdb::NmrOneD 138488 Specdb::NmrOneD 138489 Specdb::CMs 13102 Specdb::CMs 45186 Specdb::CMs 166980 Specdb::MsMs 44673 Specdb::MsMs 44674 Specdb::MsMs 44675 Specdb::MsMs 111906 Specdb::MsMs 111907 Specdb::MsMs 111908 Specdb::MsMs 2241768 Specdb::MsMs 2411104 Specdb::MsMs 2411105 Specdb::MsMs 2411106 Specdb::MsMs 2555284 Specdb::MsMs 2555285 Specdb::MsMs 2555286 HMDB37028 #<Reference:0x000055ce32c59a58> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442