1.0 2010-04-08 22:05:07 UTC 2025-11-18 22:32:57 UTC FDB001794 Chakasaponin VI Chakasaponin vi is a member of the class of compounds known as 2'-hydroxychalcones. 2'-hydroxychalcones are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. Thus, chakasaponin vi is considered to be a flavonoid lipid molecule. Chakasaponin vi is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chakasaponin vi can be found in tea, which makes chakasaponin vi a potential biomarker for the consumption of this food product. Abyssinone vi C25H28O4 392.4874 392.198759384 (2E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one abyssinone VI 1075184-14-3 CC(C)=CCC1=CC(\C=C\C(=O)C2=CC=C(O)C=C2O)=CC(CC=C(C)C)=C1O InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+ PEKZTKWPHQWTIM-KPKJPENVSA-N belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. 2'-Hydroxychalcones 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 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 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 Chalcones and dihydrochalcones chalcones chalcones polyphenol resorcinols logp 5.18 ALOGPS logs -5.41 ALOGPS solubility 1.51e-03 g/l ALOGPS logp 7.09 ChemAxon pka_strongest_acidic 7.72 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac (2E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one ChemAxon average_mass 392.4874 ChemAxon mono_mass 392.198759384 ChemAxon smiles CC(C)=CCC1=CC(\C=C\C(=O)C2=CC=C(O)C=C2O)=CC(CC=C(C)C)=C1O ChemAxon formula C25H28O4 ChemAxon inchi InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+ ChemAxon inchikey PEKZTKWPHQWTIM-KPKJPENVSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 121.31 ChemAxon polarizability 44.87 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60375 Specdb::MsMs 60376 Specdb::MsMs 60377 Specdb::MsMs 116688 Specdb::MsMs 116689 Specdb::MsMs 116690 Specdb::MsMs 3598510 Specdb::MsMs 3598511 Specdb::MsMs 3598512 Specdb::MsMs 3599681 Specdb::MsMs 3599682 Specdb::MsMs 3599683 2369 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442