1.0 2010-04-08 22:05:30 UTC 2025-11-18 22:40:17 UTC FDB002750 Thymusin Thymusin is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, thymusin is considered to be a flavonoid lipid molecule. Thymusin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Thymusin can be found in peppermint, which makes thymusin a potential biomarker for the consumption of this food product. 4',5,6-Trihydroxy-7,8-dimethoxyflavone 5,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one Thymusin C17H14O7 330.2889 330.073952802 5,6-dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-chromen-4-one thymusin 76844-66-1 COC1=C(O)C(O)=C2C(=O)C=C(OC2=C1OC)C1=CC=C(O)C=C1 InChI=1S/C17H14O7/c1-22-16-14(21)13(20)12-10(19)7-11(24-15(12)17(16)23-2)8-3-5-9(18)6-4-8/h3-7,18,20-21H,1-2H3 DAUMHRNXYGHXIC-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 8-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-hydroxyflavonoid 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 3.01 ALOGPS logs -3.67 ALOGPS solubility 7.05e-02 g/l ALOGPS logp 2.39 ChemAxon pka_strongest_acidic 8.02 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 5,6-dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-chromen-4-one ChemAxon average_mass 330.2889 ChemAxon mono_mass 330.073952802 ChemAxon smiles COC1=C(O)C(O)=C2C(=O)C=C(OC2=C1OC)C1=CC=C(O)C=C1 ChemAxon formula C17H14O7 ChemAxon inchi InChI=1S/C17H14O7/c1-22-16-14(21)13(20)12-10(19)7-11(24-15(12)17(16)23-2)8-3-5-9(18)6-4-8/h3-7,18,20-21H,1-2H3 ChemAxon inchikey DAUMHRNXYGHXIC-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 85.84 ChemAxon polarizability 32.49 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68127 Specdb::MsMs 68128 Specdb::MsMs 68129 Specdb::MsMs 126096 Specdb::MsMs 126097 Specdb::MsMs 126098 Specdb::CMs 88909 Peppermint Type 1 specific Mentha X piperita 34256