1.0 2010-04-08 22:04:39 UTC 2020-02-24 19:10:11 UTC FDB000652 Limocitrin Constituent of citrus fruit peels. Limocitrin is found in lemon and citrus. 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one, 9CI 3',8-Dimethoxygossypetin 4',5,7-Trihydroxy-3',8-dimethoxyflavonol Gossypetin 3',8-dimethyl ether Limocitrin Sedoflorigenin C17H14O8 346.2883 346.068867424 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-chromen-4-one limocitrin 489-33-8 COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3 IBXCKSUZOFKGSB-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Flavonols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylated flavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids 8-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Polyol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 1.97 ALOGPS logs -3.39 ALOGPS solubility 1.40e-01 g/l ALOGPS melting_point Mp 274-275° logp 2.14 ChemAxon pka_strongest_acidic 6.96 ChemAxon pka_strongest_basic -4 ChemAxon iupac 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-chromen-4-one ChemAxon average_mass 346.2883 ChemAxon mono_mass 346.068867424 ChemAxon smiles COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C=C2O ChemAxon formula C17H14O8 ChemAxon inchi InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3 ChemAxon inchikey IBXCKSUZOFKGSB-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 87.81 ChemAxon polarizability 33.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23739 Specdb::CMs 41422 Specdb::CMs 166774 Specdb::MsMs 6668 Specdb::MsMs 6669 Specdb::MsMs 6670 Specdb::MsMs 13340 Specdb::MsMs 13341 Specdb::MsMs 13342 Specdb::MsMs 439496 Specdb::MsMs 439499 Specdb::MsMs 439502 Specdb::MsMs 449557 Specdb::MsMs 449560 Specdb::MsMs 2236180 Specdb::MsMs 2237216 Specdb::MsMs 2238319 Specdb::MsMs 2239248 Specdb::MsMs 2240463 Specdb::MsMs 2277686 Specdb::MsMs 2277687 Specdb::MsMs 2277688 Specdb::MsMs 3088573 Specdb::MsMs 3088574 Specdb::MsMs 3088575 HMDB29516 #<Reference:0x000055ce3229b2c8> Citrus Unknown generic Lemon Type 1 specific Citrus limon 2708