1.0 2010-04-08 22:11:07 UTC 2018-05-29 01:10:01 UTC FDB014161 6'-Methoxypolygoacetophenoside Constituent of Crocus sativus (saffron) 2',3',4'-Trihydroxy-6'-methoxy-acetophenone 3'-glucoside 2',3',4'-Trihydroxy-6'-methoxy-acetophenone 3'-O-b-D-glucopyranoside 2',3',4'-Trihydroxy-6'-methoxy-acetophenone 3'-O-b-D-glucoside 6'-Methoxypolygoacetophenoside C15H20O10 360.3133 360.10564686 1-(2,4-dihydroxy-6-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-one 1-(2,4-dihydroxy-6-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone 241814-63-1 COC1=C(C(C)=O)C(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1 InChI=1S/C15H20O10/c1-5(17)9-7(23-2)3-6(18)14(11(9)20)25-15-13(22)12(21)10(19)8(4-16)24-15/h3,8,10,12-13,15-16,18-22H,4H2,1-2H3 OCIAHNACQOUFBB-UHFFFAOYSA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Cinnamic acid esters Cyclitols and derivatives Dialkyl ethers Enoate esters Fatty acid esters Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Nitriles O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Phenoxy compounds Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteromonocyclic compound Benzenoid Carbonitrile Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Cyclic alcohol Cyclitol or derivatives Dialkyl ether Enoate ester Ether Fatty acid ester Fatty acyl Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Nitrile O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Primary alcohol Secondary alcohol Styrene logp -1.03 ALOGPS logs -1.42 ALOGPS solubility 1.37e+01 g/l ALOGPS melting_point Mp 188-189° logp -1.2 ChemAxon pka_strongest_acidic 8.34 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-(2,4-dihydroxy-6-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-one ChemAxon average_mass 360.3133 ChemAxon mono_mass 360.10564686 ChemAxon smiles COC1=C(C(C)=O)C(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1 ChemAxon formula C15H20O10 ChemAxon inchi InChI=1S/C15H20O10/c1-5(17)9-7(23-2)3-6(18)14(11(9)20)25-15-13(22)12(21)10(19)8(4-16)24-15/h3,8,10,12-13,15-16,18-22H,4H2,1-2H3 ChemAxon inchikey OCIAHNACQOUFBB-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 81.01 ChemAxon polarizability 33.91 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85023 Specdb::MsMs 85024 Specdb::MsMs 85025 Specdb::MsMs 147012 Specdb::MsMs 147013 Specdb::MsMs 147014 Specdb::MsMs 2663236 Specdb::MsMs 2663237 Specdb::MsMs 2663238 Specdb::MsMs 3014869 Specdb::MsMs 3014870 Specdb::MsMs 3014871 Specdb::NmrOneD 131758 Specdb::NmrOneD 131759 Specdb::NmrOneD 131760 Specdb::NmrOneD 131761 Specdb::NmrOneD 131762 Specdb::NmrOneD 131763 Specdb::NmrOneD 131764 Specdb::NmrOneD 131765 Specdb::NmrOneD 131766 Specdb::NmrOneD 131767 Specdb::NmrOneD 131768 Specdb::NmrOneD 131769 Specdb::NmrOneD 131770 Specdb::NmrOneD 131771 Specdb::NmrOneD 131772 Specdb::NmrOneD 131773 Specdb::NmrOneD 131774 Specdb::NmrOneD 131775 Specdb::NmrOneD 131776 Specdb::NmrOneD 131777 Specdb::CMs 25794 Specdb::CMs 44404 Specdb::CMs 170984 HMDB35476 #<Reference:0x000055ce3274d460>