1.0 2010-04-08 22:13:41 UTC 2019-11-26 03:16:06 UTC FDB018389 Cinnamoside Isolated from dried bark of Cinnamomum cassia (Chinese cinnamon). Cinnamoside is found in chinese cinnamon and herbs and spices. Cinnamoside C24H38O12 518.5513 518.23632668 4-(4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-one 4-(4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-one 108567-70-0 CC(=O)C=C=C1C(C)(C)CC(CC1(C)O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O InChI=1S/C24H38O12/c1-12(26)5-6-15-22(2,3)7-13(8-23(15,4)31)35-20-18(29)17(28)16(27)14(36-20)9-33-21-19(30)24(32,10-25)11-34-21/h5,13-14,16-21,25,27-32H,7-11H2,1-4H3 WGFLJEFKPRMWSU-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 heteromonocyclic compounds Acetals Acryloyl compounds Cyclic alcohols and derivatives Disaccharides Enones Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Tetrahydrofurans Acetal Acryloyl-group Alcohol Aliphatic heteromonocyclic compound Carbonyl group Cyclic alcohol Disaccharide Enone Glycosyl compound Hydrocarbon derivative Ketone Megastigmane sesquiterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside Tertiary alcohol Tetrahydrofuran logp -0.83 ALOGPS logs -2.17 ALOGPS solubility 3.48e+00 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-(4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-one ChemAxon average_mass 518.5513 ChemAxon mono_mass 518.23632668 ChemAxon smiles CC(=O)C=C=C1C(C)(C)CC(CC1(C)O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O ChemAxon formula C24H38O12 ChemAxon inchi InChI=1S/C24H38O12/c1-12(26)5-6-15-22(2,3)7-13(8-23(15,4)31)35-20-18(29)17(28)16(27)14(36-20)9-33-21-19(30)24(32,10-25)11-34-21/h5,13-14,16-21,25,27-32H,7-11H2,1-4H3 ChemAxon inchikey WGFLJEFKPRMWSU-UHFFFAOYSA-N ChemAxon polar_surface_area 195.6 ChemAxon refractivity 122.97 ChemAxon polarizability 53.37 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11045 Specdb::CMs 46150 Specdb::CMs 178445 Specdb::CMs 280895 Specdb::MsMs 6539 Specdb::MsMs 6540 Specdb::MsMs 6541 Specdb::MsMs 13211 Specdb::MsMs 13212 Specdb::MsMs 13213 Specdb::MsMs 2799757 Specdb::MsMs 2799758 Specdb::MsMs 2799759 Specdb::MsMs 2882696 Specdb::MsMs 2882697 Specdb::MsMs 2882698 Specdb::NmrOneD 30062 Specdb::NmrOneD 30063 Specdb::NmrOneD 30064 Specdb::NmrOneD 30065 Specdb::NmrOneD 30066 Specdb::NmrOneD 30067 Specdb::NmrOneD 30068 Specdb::NmrOneD 30069 Specdb::NmrOneD 30070 Specdb::NmrOneD 30071 Specdb::NmrOneD 30072 Specdb::NmrOneD 30073 Specdb::NmrOneD 30074 Specdb::NmrOneD 30075 Specdb::NmrOneD 30076 Specdb::NmrOneD 30077 Specdb::NmrOneD 30078 Specdb::NmrOneD 30079 Specdb::NmrOneD 30080 Specdb::NmrOneD 30081 HMDB38923 #<Reference:0x000055ce31789420> Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Herbs and Spices Unknown generic