1.0 2010-04-08 22:05:05 UTC 2025-11-18 22:32:39 UTC FDB001713 Xanthoangelol F Xanthoangelol f 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 f is considered to be a flavonoid lipid molecule. Xanthoangelol f is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol f can be found in angelica, which makes xanthoangelol f a potential biomarker for the consumption of this food product. 3'-Geranyl-2',4-dihydroxy-4'-methoxychalcone C26H30O4 406.514 406.214409448 (2E)-1-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one xanthoangelol F 265652-71-9 COC1=CC=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1C\C=C(/C)CCC=C(C)C InChI=1S/C26H30O4/c1-18(2)6-5-7-19(3)8-14-23-25(30-4)17-15-22(26(23)29)24(28)16-11-20-9-12-21(27)13-10-20/h6,8-13,15-17,27,29H,5,7,14H2,1-4H3/b16-11+,19-8+ XBFSDEKOTLYPJU-SXZUIPJJSA-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 Aromatic monoterpenoids Aryl ketones Benzoyl derivatives Cinnamylphenols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxybenzenes Methoxyphenols Monocyclic monoterpenoids Organic oxides Phenoxy compounds 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 Aromatic monoterpenoid Aryl ketone Benzenoid Benzoyl Cinnamylphenol Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene Vinylogous acid Chalcones and dihydrochalcones gas logp 5.39 ALOGPS logs -5.60 ALOGPS solubility 1.01e-03 g/l ALOGPS logp 7.16 ChemAxon pka_strongest_acidic 7.89 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2E)-1-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 406.514 ChemAxon mono_mass 406.214409448 ChemAxon smiles COC1=CC=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1C\C=C(/C)CCC=C(C)C ChemAxon formula C26H30O4 ChemAxon inchi InChI=1S/C26H30O4/c1-18(2)6-5-7-19(3)8-14-23-25(30-4)17-15-22(26(23)29)24(28)16-11-20-9-12-21(27)13-10-20/h6,8-13,15-17,27,29H,5,7,14H2,1-4H3/b16-11+,19-8+ ChemAxon inchikey XBFSDEKOTLYPJU-SXZUIPJJSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 125.35 ChemAxon polarizability 46.99 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71061 Specdb::MsMs 71062 Specdb::MsMs 71063 Specdb::MsMs 129672 Specdb::MsMs 129673 Specdb::MsMs 129674 Specdb::MsMs 3598214 Specdb::MsMs 3598215 Specdb::MsMs 3598216 Specdb::MsMs 3598217 Specdb::MsMs 3598218 Specdb::MsMs 3598219 Angelica Type 1 specific Angelica keiskei 357850