1.0 2010-04-08 22:14:00 UTC 2019-11-26 03:16:51 UTC FDB018887 Citrusin D Isolated from Citrus limon (lemon), Citrus unshiu (Satsuma mandarin), Fortunella japonica (round kumquat) and Pinus sylvestris (Scotch pine). Citrusin D is found in citrus and fruits. Citrusin D Isoconiferin C16H22O8 342.3411 342.13146768 2-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 65995-51-9 COC1=C(O)C=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2- JOIDTHZGWZZGMU-IHWYPQMZSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteromonocyclic compound Benzenoid Ether Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp -0.44 ALOGPS logs -1.92 ALOGPS solubility 4.11e+00 g/l ALOGPS logp -0.42 ChemAxon pka_strongest_acidic 9.97 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 342.3411 ChemAxon mono_mass 342.13146768 ChemAxon smiles COC1=C(O)C=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C16H22O8 ChemAxon inchi InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2- ChemAxon inchikey JOIDTHZGWZZGMU-IHWYPQMZSA-N ChemAxon polar_surface_area 128.84 ChemAxon refractivity 84.05 ChemAxon polarizability 33.68 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20897 Specdb::CMs 46367 Specdb::CMs 145851 Specdb::NmrOneD 32322 Specdb::NmrOneD 32323 Specdb::NmrOneD 32324 Specdb::NmrOneD 32325 Specdb::NmrOneD 32326 Specdb::NmrOneD 32327 Specdb::NmrOneD 32328 Specdb::NmrOneD 32329 Specdb::NmrOneD 32330 Specdb::NmrOneD 32331 Specdb::NmrOneD 32332 Specdb::NmrOneD 32333 Specdb::NmrOneD 32334 Specdb::NmrOneD 32335 Specdb::NmrOneD 32336 Specdb::NmrOneD 32337 Specdb::NmrOneD 32338 Specdb::NmrOneD 32339 Specdb::NmrOneD 32340 Specdb::NmrOneD 32341 Specdb::MsMs 110193 Specdb::MsMs 110194 Specdb::MsMs 110195 Specdb::MsMs 177810 Specdb::MsMs 177811 Specdb::MsMs 177812 Specdb::MsMs 2716920 Specdb::MsMs 2716921 Specdb::MsMs 2716922 Specdb::MsMs 2961159 Specdb::MsMs 2961160 Specdb::MsMs 2961161 HMDB39334 #<Reference:0x000055ce302ad970> Citrus Unknown generic Fruits Unknown generic