1.0 2010-04-08 22:10:58 UTC 2019-11-26 03:09:17 UTC FDB013915 3'-Geranyl-2',3,4,4'-tetrahydroxychalcone Constituent of Artocarpus incisus (breadfruit). 3'-Geranyl-2',3,4,4'-tetrahydroxychalcone is found in fruits. 3'-Geranyl-2',3,4,4'-tetrahydroxychalcone C25H28O5 408.4868 408.193674006 (2E)-3-(3,4-dihydroxyphenyl)-1-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}prop-2-en-1-one (2E)-3-(3,4-dihydroxyphenyl)-1-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}prop-2-en-1-one CC(C)=CCC\C(C)=C\CC1=C(O)C=CC(C(=O)\C=C\C2=CC(O)=C(O)C=C2)=C1O InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-10-19-22(27)14-11-20(25(19)30)21(26)12-8-18-9-13-23(28)24(29)15-18/h5,7-9,11-15,27-30H,4,6,10H2,1-3H3/b12-8+,17-7+ WWJVSOYKRSDSDN-PIRRJUBYSA-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 Aromatic monoterpenoids Aryl ketones Benzoyl derivatives Catechols Cinnamylphenols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Monocyclic monoterpenoids 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 Aromatic monoterpenoid Aryl ketone Benzenoid Benzoyl Catechol Cinnamylphenol Enone Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol Styrene Vinylogous acid Chalcones and dihydrochalcones logp 5.07 ALOGPS logs -4.96 ALOGPS solubility 4.46e-03 g/l ALOGPS logp 6.71 ChemAxon pka_strongest_acidic 7.57 ChemAxon pka_strongest_basic -6 ChemAxon iupac (2E)-3-(3,4-dihydroxyphenyl)-1-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}prop-2-en-1-one ChemAxon average_mass 408.4868 ChemAxon mono_mass 408.193674006 ChemAxon smiles CC(C)=CCC\C(C)=C\CC1=C(O)C=CC(C(=O)\C=C\C2=CC(O)=C(O)C=C2)=C1O ChemAxon formula C25H28O5 ChemAxon inchi InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-10-19-22(27)14-11-20(25(19)30)21(26)12-8-18-9-13-23(28)24(29)15-18/h5,7-9,11-15,27-30H,4,6,10H2,1-3H3/b12-8+,17-7+ ChemAxon inchikey WWJVSOYKRSDSDN-PIRRJUBYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 122.85 ChemAxon polarizability 46.15 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18506 Specdb::CMs 44282 Specdb::CMs 155328 Specdb::MsMs 77724 Specdb::MsMs 77725 Specdb::MsMs 77726 Specdb::MsMs 137913 Specdb::MsMs 137914 Specdb::MsMs 137915 Specdb::MsMs 2669005 Specdb::MsMs 2669006 Specdb::MsMs 2669007 Specdb::MsMs 3013700 Specdb::MsMs 3013701 Specdb::MsMs 3013702 HMDB35255 #<Reference:0x000055ce3281cdc8> Fruits Unknown generic