1.0 2010-04-08 22:12:40 UTC 2019-11-26 03:13:50 UTC FDB016819 Limocitrol Constituent of citrus fruits. Limocitrol is found in lemon and citrus. 3,4',5,7-Tetrahydroxy-3',6,8-trimethoxyflavone Limocitrol C18H16O9 376.3142 376.07943211 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4H-chromen-4-one limocitrol 549-10-0 COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2O InChI=1S/C18H16O9/c1-24-9-6-7(4-5-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3 LCKHNFJHVWUHTR-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 6-O-methylated flavonoids 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 6-methoxyflavonoid-skeleton 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 2.02 ALOGPS logs -3.44 ALOGPS solubility 1.36e-01 g/l ALOGPS melting_point Mp 221-222° (210-211°) logp 1.99 ChemAxon pka_strongest_acidic 6.45 ChemAxon pka_strongest_basic -4 ChemAxon iupac 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4H-chromen-4-one ChemAxon average_mass 376.3142 ChemAxon mono_mass 376.07943211 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O1)C(OC)=C(O)C(OC)=C2O ChemAxon formula C18H16O9 ChemAxon inchi InChI=1S/C18H16O9/c1-24-9-6-7(4-5-8(9)19)15-13(22)11(20)10-12(21)17(25-2)14(23)18(26-3)16(10)27-15/h4-6,19,21-23H,1-3H3 ChemAxon inchikey LCKHNFJHVWUHTR-UHFFFAOYSA-N ChemAxon polar_surface_area 134.91 ChemAxon refractivity 94.27 ChemAxon polarizability 36.22 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23498 Specdb::CMs 45517 Specdb::CMs 150305 Specdb::MsMs 47283 Specdb::MsMs 47284 Specdb::MsMs 47285 Specdb::MsMs 140817 Specdb::MsMs 140818 Specdb::MsMs 140819 Specdb::MsMs 2410450 Specdb::MsMs 2410451 Specdb::MsMs 2410452 Specdb::MsMs 2555955 Specdb::MsMs 2555956 Specdb::MsMs 2555957 HMDB37691 #<Reference:0x0000561272dc4008> Citrus Unknown generic Lemon Type 1 specific Citrus limon 2708