1.0 2020-04-02 17:44:19 UTC 2025-11-19 03:07:45 UTC FDB097275 Eriodictyol-8-C-glucoside C21H22O11 450.396 450.116211528 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one 8-C-glucopyranosyleriodictylol OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C1=CC(O)=C(O)C=C1 InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13-,14+,17+,18-,19+,21-/m0/s1 CMVYWFJFAHQVQP-VHLXACGYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives C-glycosyl compounds Catechols Chromones Dialkyl ethers Flavanones Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Primary alcohols Secondary alcohols Vinylogous acids 1,2-diol 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran C-glycosyl compound Catechol Chromane Chromone Dialkyl ether Ether Flavan Flavanone Flavonoid-8-c-glycoside Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid Flavanones logp -0.17 ALOGPS logs -2.14 ALOGPS solubility 3.25e+00 g/l ALOGPS logp -0.23 ChemAxon pka_strongest_acidic 7.45 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 450.396 ChemAxon mono_mass 450.116211528 ChemAxon smiles OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1O[C@@H](CC2=O)C1=CC(O)=C(O)C=C1 ChemAxon formula C21H22O11 ChemAxon inchi InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13-,14+,17+,18-,19+,21-/m0/s1 ChemAxon inchikey CMVYWFJFAHQVQP-VHLXACGYSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 106.39 ChemAxon polarizability 42.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 240478 Specdb::MsMs 240479 Specdb::MsMs 240480 Specdb::MsMs 242533 Specdb::MsMs 242534 Specdb::MsMs 242535 Milk (Cow) Type 2 specific 38.495 117.0 0.58 uM