1.02010-04-08 22:13:03 UTC2019-11-26 03:14:45 UTCFDB017377NepetasideConstituent of Nepeta cataria (catnip). Nepetaside is found in tea and herbs and spices.(-)-NepetasideC16H26O8346.3728346.1627678084,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydrocyclopenta[c]pyran-1-one4,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-3H-cyclopenta[c]pyran-1-one114076-56-1CC1C(CC2C1C(=O)OCC2C)OC1OC(CO)C(O)C(O)C1OInChI=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,3-5H2,1-2H3CUIDBUWFCFYEPL-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 glycosidesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene glycosidesAliphatic heteropolycyclic compoundsAcetalsBicyclic monoterpenoidsCarbonyl compoundsCarboxylic acid estersDelta valerolactonesHexosesHydrocarbon derivativesIridoids and derivativesMonocarboxylic acids and derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsTerpene lactonesAcetalAlcoholAliphatic heteropolycyclic compoundBicyclic monoterpenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDelta valerolactoneDelta_valerolactoneGlycosyl compoundHexose monosaccharideHydrocarbon derivativeIridoid-skeletonLactoneMonocarboxylic acid or derivativesMonosaccharideMonoterpenoidO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholTerpene glycosideTerpene lactonelogp-1.03logs-1.03solubility3.26e+01 g/lmelting_pointMp 204-205°logp-1pka_strongest_acidic12.21pka_strongest_basic-3iupac4,7-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydrocyclopenta[c]pyran-1-oneaverage_mass346.3728mono_mass346.162767808smilesCC1C(CC2C1C(=O)OCC2C)OC1OC(CO)C(O)C(O)C1OformulaC16H26O8inchiInChI=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,3-5H2,1-2H3inchikeyCUIDBUWFCFYEPL-UHFFFAOYSA-Npolar_surface_area125.68refractivity79.86polarizability35.15rotatable_bond_count3acceptor_count7donor_count4physiological_charge0formal_charge0Specdb::NmrOneD25022Specdb::NmrOneD25023Specdb::NmrOneD25024Specdb::NmrOneD25025Specdb::NmrOneD25026Specdb::NmrOneD25027Specdb::NmrOneD25028Specdb::NmrOneD25029Specdb::NmrOneD25030Specdb::NmrOneD25031Specdb::NmrOneD25032Specdb::NmrOneD25033Specdb::NmrOneD25034Specdb::NmrOneD25035Specdb::NmrOneD25036Specdb::NmrOneD25037Specdb::NmrOneD25038Specdb::NmrOneD25039Specdb::NmrOneD25040Specdb::NmrOneD25041Specdb::CMs23662Specdb::CMs45702Specdb::CMs135918Specdb::CMs143652Specdb::MsMs9785Specdb::MsMs9786Specdb::MsMs9787Specdb::MsMs16457Specdb::MsMs16458Specdb::MsMs16459Specdb::MsMs2303610Specdb::MsMs2303611Specdb::MsMs2303612Specdb::MsMs3065957Specdb::MsMs3065958Specdb::MsMs3065959HMDB38149#<Reference:0x00005556745a9360>Black teaType 1Green teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericRed teaType 1TeaType 1specificCamellia sinensis4442