1.0 2010-04-08 22:06:56 UTC 2025-11-18 23:00:40 UTC FDB005990 Chrysosplenol Chrysosplenol, also known as quercetagetin 3,7,3'-trimethyl ether or 4',5,6-trihydroxy-3,3',7-trimethoxyflavone, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, chrysosplenol is considered to be a flavonoid lipid molecule. Chrysosplenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chrysosplenol can be found in german camomile, which makes chrysosplenol a potential biomarker for the consumption of this food product. 3, 7, 3-O-trimethylquercetagetin 3,7,3'-tri-methylquercetagetin Chrysosplenol C Quercetagetin 3,7,3'-trimethyl ether C18H16O8 360.3148 360.084517488 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one chrysosplenol C 23370-16-3 COC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C(O)=C(OC)C=C2O1 InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3 QQBSPLCHDUCBNM-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3-O-methylated flavonoids 3-methoxychromones 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Alkyl aryl ethers Anisoles Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-methoxychromone 3-methoxyflavonoid-skeleton 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone 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 Pyran Pyranone Vinylogous acid Flavones and Flavonols Flavones and Flavonols a small molecule flavonols trihydroxyflavone trimethoxyflavone logp 2.90 ALOGPS logs -3.71 ALOGPS solubility 6.98e-02 g/l ALOGPS logp 2.26 ChemAxon pka_strongest_acidic 8.44 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one ChemAxon average_mass 360.3148 ChemAxon mono_mass 360.084517488 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O)C(O)=C(OC)C=C2O1 ChemAxon formula C18H16O8 ChemAxon inchi InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3 ChemAxon inchikey QQBSPLCHDUCBNM-UHFFFAOYSA-N ChemAxon polar_surface_area 114.68 ChemAxon refractivity 92.56 ChemAxon polarizability 35.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95655 Specdb::MsMs 95656 Specdb::MsMs 95657 Specdb::MsMs 159966 Specdb::MsMs 159967 Specdb::MsMs 159968 Specdb::MsMs 3602390 Specdb::MsMs 3602391 Specdb::MsMs 3602392 Specdb::MsMs 3602393 Specdb::MsMs 3602394 Specdb::MsMs 3602395 German camomile Type 1 specific Matricaria recutita 127986 Aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose.