1.0 2010-04-08 22:05:02 UTC 2025-11-18 22:32:11 UTC FDB001603 Xanthoangelol C Xanthoangelol c is a member of the class of compounds known as 3-prenylated chalcones. 3-prenylated chalcones are chalcones featuring a C5-isoprenoid unit at the 3-position. Thus, xanthoangelol c is considered to be a flavonoid lipid molecule. Xanthoangelol c is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol c can be found in angelica, which makes xanthoangelol c a potential biomarker for the consumption of this food product. C22H22O5 366.4071 366.146723814 (4E)-6-{2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}-4-methylhex-4-enal xanthoangelol C 132998-82-4 C\C(CCC=O)=C/CC1=C(O)C=CC(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O InChI=1S/C22H22O5/c1-15(3-2-14-23)4-10-18-21(26)13-11-19(22(18)27)20(25)12-7-16-5-8-17(24)9-6-16/h4-9,11-14,24,26-27H,2-3,10H2,1H3/b12-7+,15-4+ SXDGLCCGJJGJRY-FEUCYYSJSA-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 Alpha-hydrogen aldehydes 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 Aldehyde Alpha,beta-unsaturated ketone Alpha-hydrogen aldehyde Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Carbonyl group 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 4.05 ALOGPS logs -4.89 ALOGPS solubility 4.77e-03 g/l ALOGPS logp 4.77 ChemAxon pka_strongest_acidic 7.57 ChemAxon pka_strongest_basic -6 ChemAxon iupac (4E)-6-{2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}-4-methylhex-4-enal ChemAxon average_mass 366.4071 ChemAxon mono_mass 366.146723814 ChemAxon smiles C\C(CCC=O)=C/CC1=C(O)C=CC(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O ChemAxon formula C22H22O5 ChemAxon inchi InChI=1S/C22H22O5/c1-15(3-2-14-23)4-10-18-21(26)13-11-19(22(18)27)20(25)12-7-16-5-8-17(24)9-6-16/h4-9,11-14,24,26-27H,2-3,10H2,1H3/b12-7+,15-4+ ChemAxon inchikey SXDGLCCGJJGJRY-FEUCYYSJSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 107 ChemAxon polarizability 40.33 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 102816 Specdb::MsMs 102817 Specdb::MsMs 102818 Specdb::MsMs 168699 Specdb::MsMs 168700 Specdb::MsMs 168701 Specdb::MsMs 3597833 Specdb::MsMs 3597834 Specdb::MsMs 3597835 Specdb::MsMs 3597836 Specdb::MsMs 3597837 Specdb::MsMs 3597838 Angelica Type 1 specific Angelica keiskei 357850