1.0 2010-04-08 22:13:03 UTC 2019-11-26 03:14:45 UTC FDB017377 Nepetaside Constituent of Nepeta cataria (catnip). Nepetaside is found in tea and herbs and spices. (-)-Nepetaside C16H26O8 346.3728 346.162767808 4,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydrocyclopenta[c]pyran-1-one 4,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-3H-cyclopenta[c]pyran-1-one 114076-56-1 CC1C(CC2C1C(=O)OCC2C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H26O8/c1-6-5-22-15(21)11-7(2)9(3-8(6)11)23-16-14(20)13(19)12(18)10(4-17)24-16/h6-14,16-20H,3-5H2,1-2H3 CUIDBUWFCFYEPL-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Bicyclic monoterpenoids Carbonyl compounds Carboxylic acid esters Delta valerolactones Hexoses Hydrocarbon derivatives Iridoids and derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Terpene lactones Acetal Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Iridoid-skeleton Lactone 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 Terpene glycoside Terpene lactone logp -1.03 ALOGPS logs -1.03 ALOGPS solubility 3.26e+01 g/l ALOGPS melting_point Mp 204-205° logp -1 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydrocyclopenta[c]pyran-1-one ChemAxon average_mass 346.3728 ChemAxon mono_mass 346.162767808 ChemAxon smiles CC1C(CC2C1C(=O)OCC2C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H26O8 ChemAxon inchi InChI=1S/C16H26O8/c1-6-5-22-15(21)11-7(2)9(3-8(6)11)23-16-14(20)13(19)12(18)10(4-17)24-16/h6-14,16-20H,3-5H2,1-2H3 ChemAxon inchikey CUIDBUWFCFYEPL-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 79.86 ChemAxon polarizability 35.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23662 Specdb::CMs 45702 Specdb::CMs 135918 Specdb::CMs 143652 Specdb::MsMs 9785 Specdb::MsMs 9786 Specdb::MsMs 9787 Specdb::MsMs 16457 Specdb::MsMs 16458 Specdb::MsMs 16459 Specdb::MsMs 2303610 Specdb::MsMs 2303611 Specdb::MsMs 2303612 Specdb::MsMs 3065957 Specdb::MsMs 3065958 Specdb::MsMs 3065959 Specdb::NmrOneD 25022 Specdb::NmrOneD 25023 Specdb::NmrOneD 25024 Specdb::NmrOneD 25025 Specdb::NmrOneD 25026 Specdb::NmrOneD 25027 Specdb::NmrOneD 25028 Specdb::NmrOneD 25029 Specdb::NmrOneD 25030 Specdb::NmrOneD 25031 Specdb::NmrOneD 25032 Specdb::NmrOneD 25033 Specdb::NmrOneD 25034 Specdb::NmrOneD 25035 Specdb::NmrOneD 25036 Specdb::NmrOneD 25037 Specdb::NmrOneD 25038 Specdb::NmrOneD 25039 Specdb::NmrOneD 25040 Specdb::NmrOneD 25041 HMDB38149 #<Reference:0x000055ce31a22e48> 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