1.0 2010-04-08 22:13:33 UTC 2025-11-19 02:09:47 UTC FDB018171 Isolimocitrol 3-glucoside Isolated from Citrus limon. Isolimocitrol 3-glucoside is found in lemon and citrus. Isolimocitrol 3-glucoside C24H26O14 538.4548 538.13225554 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one COC1=C(O)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1 InChI=1S/C24H26O14/c1-33-10-5-4-8(6-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3 AMJOONKCBORCKA-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-O-methylated flavonoids 5-hydroxyflavonoids 6-O-methylated flavonoids 7-hydroxyflavonoids 8-O-methylated flavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid 8-methoxyflavonoid-skeleton Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.83 ALOGPS logs -2.58 ALOGPS solubility 1.40e+00 g/l ALOGPS melting_point Mp 220-225° logp -0.31 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 538.4548 ChemAxon mono_mass 538.13225554 ChemAxon smiles COC1=C(O)C=C(C=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1 ChemAxon formula C24H26O14 ChemAxon inchi InChI=1S/C24H26O14/c1-33-10-5-4-8(6-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3 ChemAxon inchikey AMJOONKCBORCKA-UHFFFAOYSA-N ChemAxon polar_surface_area 214.06 ChemAxon refractivity 126.68 ChemAxon polarizability 51.28 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 80700 Specdb::MsMs 80701 Specdb::MsMs 80702 Specdb::MsMs 141633 Specdb::MsMs 141634 Specdb::MsMs 141635 Specdb::MsMs 2366641 Specdb::MsMs 2366642 Specdb::MsMs 2366643 Specdb::MsMs 2599320 Specdb::MsMs 2599321 Specdb::MsMs 2599322 Specdb::NmrOneD 29082 Specdb::NmrOneD 29083 Specdb::NmrOneD 29084 Specdb::NmrOneD 29085 Specdb::NmrOneD 29086 Specdb::NmrOneD 29087 Specdb::NmrOneD 29088 Specdb::NmrOneD 29089 Specdb::NmrOneD 29090 Specdb::NmrOneD 29091 Specdb::NmrOneD 29092 Specdb::NmrOneD 29093 Specdb::NmrOneD 29094 Specdb::NmrOneD 29095 Specdb::NmrOneD 29096 Specdb::NmrOneD 29097 Specdb::NmrOneD 29098 Specdb::NmrOneD 29099 Specdb::NmrOneD 29100 Specdb::NmrOneD 29101 Specdb::CMs 13204 Specdb::CMs 46037 Specdb::CMs 258382 Specdb::CMs 258383 Specdb::CMs 258384 Specdb::CMs 258385 Specdb::CMs 258386 Specdb::CMs 258387 Specdb::CMs 258388 Specdb::CMs 258389 Specdb::CMs 258390 Specdb::CMs 258391 Specdb::CMs 258392 Specdb::CMs 258393 Specdb::CMs 258394 Specdb::CMs 258395 Specdb::CMs 258396 Specdb::CMs 258397 Specdb::CMs 258398 Specdb::CMs 258399 Specdb::CMs 258400 Specdb::CMs 258401 Specdb::CMs 258402 Specdb::CMs 258403 Specdb::CMs 258404 HMDB38757 #<Reference:0x000055ce32d48680> Citrus Unknown generic Lemon Type 1 specific Citrus limon 2708