1.0 2010-04-08 22:12:30 UTC 2019-11-26 03:13:27 UTC FDB016554 2',4',6'-Trihydroxydihydrochalcone 2'-glucoside Occurs in Malus subspecies 2',4',6'-Trihydroxydihydrochalcone 2'-glucoside is found in malus (crab apple) and pomes. 2',4',6'-Trihydroxydihydrochalcone 2'-glucoside 2',4',6'-Trihydroxydihydrochalcone 2'-O-b-D-glucopyranoside 3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone 2'-O-b-D-glucopyranoside C21H24O9 420.4099 420.142032366 1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one 1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one 31018-48-1 OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=CC=C2)C(O)C(O)C1O InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2 NLGUKXQDDTZCDG-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-prenylated chalcones. These are chalcones featuring a C5-isoprenoid unit at the 3-position. 3-prenylated chalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-Hydroxychalcones Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Resorcinols Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone 3-prenylated chalcone Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Resorcinol Styrene Vinylogous acid Chalcones and dihydrochalcones Chalcones and dihydrochalcones aromatic ether chalcones chalcones polyphenol logp 0.50 ALOGPS logs -2.42 ALOGPS solubility 1.59e+00 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_acidic 7.9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-phenylpropan-1-one ChemAxon average_mass 420.4099 ChemAxon mono_mass 420.142032366 ChemAxon smiles OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=CC=C2)C(O)C(O)C1O ChemAxon formula C21H24O9 ChemAxon inchi InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2 ChemAxon inchikey NLGUKXQDDTZCDG-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 103.87 ChemAxon polarizability 41.48 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13159 Specdb::CMs 45416 Specdb::CMs 136315 Specdb::CMs 144049 Specdb::MsMs 7205 Specdb::MsMs 7206 Specdb::MsMs 7207 Specdb::MsMs 13877 Specdb::MsMs 13878 Specdb::MsMs 13879 Specdb::MsMs 2231052 Specdb::MsMs 2233169 Specdb::MsMs 2233371 Specdb::MsMs 2235545 Specdb::MsMs 2236283 Specdb::MsMs 2237085 Specdb::MsMs 2240354 Specdb::MsMs 2241331 Specdb::MsMs 2242488 Specdb::MsMs 2243385 Specdb::MsMs 2250760 Specdb::MsMs 2251630 Specdb::MsMs 2450716 Specdb::MsMs 2450717 Specdb::MsMs 2450718 Specdb::MsMs 2488704 Specdb::MsMs 2488705 Specdb::MsMs 2488706 HMDB37483 #<Reference:0x000055ce324b1670> Malus (Crab apple) Type 1 specific Malus 3749 Pomes Unknown generic