1.0 2010-04-08 22:12:31 UTC 2019-11-26 03:13:30 UTC FDB016587 Chalconosakuranetin Isolated from Prunus cerasoides (wild Himalayan cherry). Chalconosakuranetin is found in black walnut and fruits. Chalconosakuranetin Neosakuranin C22H24O10 448.42 448.136946988 (2E)-1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one neosakuranin 31187-54-9 COC1=CC(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+ MNYVBVCMMNPLJI-QPJJXVBHSA-N belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-Hydroxychalcones Acetals Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Enones Hexoses Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone Acetal Acryloyl-group Alcohol Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic heteromonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Enone Ether Flavonoid o-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Linear 1,3-diarylpropanoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene Vinylogous acid Chalcones and dihydrochalcones logp 0.65 ALOGPS logs -2.77 ALOGPS solubility 7.54e-01 g/l ALOGPS melting_point Mp 110-112° logp 1.2 ChemAxon pka_strongest_acidic 8.09 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E)-1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 448.42 ChemAxon mono_mass 448.136946988 ChemAxon smiles COC1=CC(O)=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C22H24O10 ChemAxon inchi InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+ ChemAxon inchikey MNYVBVCMMNPLJI-QPJJXVBHSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 111.43 ChemAxon polarizability 44.18 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21572 Specdb::CMs 45435 Specdb::CMs 174790 Specdb::MsMs 45360 Specdb::MsMs 45361 Specdb::MsMs 45362 Specdb::MsMs 121971 Specdb::MsMs 121972 Specdb::MsMs 121973 Specdb::MsMs 2779489 Specdb::MsMs 2779490 Specdb::MsMs 2779491 Specdb::MsMs 2902971 Specdb::MsMs 2902972 Specdb::MsMs 2902973 HMDB37509 #<Reference:0x000055ce31e3f5d0> Black walnut Type 1 specific Juglans nigra 16719 Fruits Unknown generic