1.0 2010-04-08 22:14:45 UTC 2019-11-26 03:18:21 UTC FDB020029 Morachalcone A Constituent of Morus alba (white mulberry). Morachalcone A is found in breadfruit and fruits. Morachalcone A C20H20O5 340.3698 340.13107375 (2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one morachalcone A 76472-88-3 CC(C)=CCC1=C(O)C=CC(C(=O)\C=C\C2=C(O)C=C(O)C=C2)=C1O InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+ NXBYIJSAISXPKJ-WEVVVXLNSA-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 Aryl ketones Benzoyl derivatives Cinnamylphenols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Organic oxides Resorcinols Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone 3-prenylated chalcone Acryloyl-group Alpha,beta-unsaturated ketone Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Enone Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol Styrene Vinylogous acid Chalcones and dihydrochalcones logp 3.37 ALOGPS logs -4.52 ALOGPS solubility 1.02e-02 g/l ALOGPS melting_point Mp 204-205° (138°) logp 5.05 ChemAxon pka_strongest_acidic 7.55 ChemAxon pka_strongest_basic -6 ChemAxon iupac (2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 340.3698 ChemAxon mono_mass 340.13107375 ChemAxon smiles CC(C)=CCC1=C(O)C=CC(C(=O)\C=C\C2=C(O)C=C(O)C=C2)=C1O ChemAxon formula C20H20O5 ChemAxon inchi InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+ ChemAxon inchikey NXBYIJSAISXPKJ-WEVVVXLNSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 99.04 ChemAxon polarizability 37.15 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19954 Specdb::CMs 46726 Specdb::CMs 146741 Specdb::MsMs 310432 Specdb::MsMs 310433 Specdb::MsMs 310434 Specdb::MsMs 355153 Specdb::MsMs 355154 Specdb::MsMs 355155 Specdb::MsMs 2675308 Specdb::MsMs 2675309 Specdb::MsMs 2675310 Specdb::MsMs 3033443 Specdb::MsMs 3033444 Specdb::MsMs 3033445 HMDB40306 #<Reference:0x000055ce330207b8> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic