1.0 2011-03-17 23:25:19 UTC 2025-11-19 02:38:47 UTC FDB021638 Vitexin 2''-rhamnoside Vitexin 2''-rhamnoside is a member of the class of 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. Vitexin 2''-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Vitexin 2''-rhamnoside can be found in oat and soy bean, which makes vitexin 2''-rhamnoside a potential biomarker for the consumption of these food products. Vitexin 2''-a-L-rhamnopyranoside Vitexin 2''-rhamnoside C27H30O14 578.5187 578.163555668 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 64820-99-1 CC1OC(OC2C(O)C(O)C(CO)OC2C2=C3OC(=CC(=O)C3=C(O)C=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3 LYGPBZVKGHHTIE-UHFFFAOYSA-N belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Dimethoxybenzenes Organic compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Aromatic heteromonocyclic compounds Alkyl aryl ethers Anisoles Aralkylamines Aromatic alcohols Aryl fluorides Azacyclic compounds Fluorobenzenes Hydrocarbon derivatives Organofluorides Organopnictogen compounds Phenethylamines Phenoxy compounds Piperidines Secondary alcohols Trialkylamines Alcohol Alkyl aryl ether Amine Anisole Aralkylamine Aromatic alcohol Aromatic heteromonocyclic compound Aryl fluoride Aryl halide Azacycle Dimethoxybenzene Ether Fluorobenzene Halobenzene Hydrocarbon derivative O-dimethoxybenzene Organic nitrogen compound Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Phenol ether Phenoxy compound Piperidine Secondary alcohol Tertiary aliphatic amine Tertiary amine solid logp -0.10 ALOGPS logs -2.18 ALOGPS solubility 3.82e+00 g/l ALOGPS melting_point Mp 213-215? (199-201?) logp -0.77 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 578.5187 ChemAxon mono_mass 578.163555668 ChemAxon smiles CC1OC(OC2C(O)C(O)C(CO)OC2C2=C3OC(=CC(=O)C3=C(O)C=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O14 ChemAxon inchi InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3 ChemAxon inchikey LYGPBZVKGHHTIE-UHFFFAOYSA-N ChemAxon polar_surface_area 236.06 ChemAxon refractivity 136.9 ChemAxon polarizability 56.25 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 243808 Specdb::NmrOneD 243809 Specdb::NmrOneD 243810 Specdb::NmrOneD 243811 Specdb::NmrOneD 243812 Specdb::NmrOneD 243813 Specdb::NmrOneD 243814 Specdb::NmrOneD 243815 Specdb::NmrOneD 243816 Specdb::NmrOneD 243817 Specdb::NmrOneD 243818 Specdb::NmrOneD 243819 Specdb::NmrOneD 243820 Specdb::NmrOneD 243821 Specdb::NmrOneD 243822 Specdb::NmrOneD 243823 Specdb::NmrOneD 243824 Specdb::NmrOneD 243825 Specdb::NmrOneD 243826 Specdb::NmrOneD 243827 Specdb::MsMs 1261300 Specdb::MsMs 1261301 Specdb::MsMs 1261302 Specdb::MsMs 1376416 Specdb::MsMs 1376417 Specdb::MsMs 1376418 Specdb::MsMs 2226256 Specdb::MsMs 2226421 Specdb::MsMs 2226540 Specdb::MsMs 2227392 Specdb::MsMs 2228205 Specdb::MsMs 2228278 Specdb::MsMs 2228434 Specdb::MsMs 2228786 Specdb::MsMs 2229670 Specdb::MsMs 2229798 Specdb::MsMs 2230678 Specdb::MsMs 2230966 Specdb::MsMs 2231286 Specdb::MsMs 2232935 Specdb::MsMs 2233215 Specdb::MsMs 2238516 Specdb::MsMs 2244532 Specdb::MsMs 2245562 Oat Type 1 specific Avena sativa 4498 Soy bean Type 1 specific Glycine max 3847 Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms.