1.0 2010-04-08 22:11:45 UTC 2019-11-26 03:11:23 UTC FDB015291 5-Hydroxy-4',7-dimethoxy-6-methylflavone Isolated from Gaultheria procumbens (wintergreen). 5-Hydroxy-4',7-dimethoxy-6-methylflavone is found in tea, herbs and spices, and beverages. 2-Hydroxybenzoic acid monosodium salt 2-Hydroxybenzoic acid sodium salt 2-Hydroxybenzoic acid, monosodium salt 5-Hydroxy-4',7-dimethoxy-6-methylflavone 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-1-benzopyran-4-one 5-Hydroxy-7,4'-dimethoxy-6-methylflavone 8-Demethyleucalyptin 8-Desmethyleucalyptin Benzoic acid, 2-hydroxy-, sodium salt (1:1) Enterosalicyl Idocyl novum Monosodium 2-hydroxybenzoate Nasal Natium salicylicum Natrium salicylat O-Hydroxybenzoic acid monosodium salt Pabalate Salicylic acid na+ Salicylic acid sodium salt Salicylic acid, na Salsonin Sodium salicylate Sodium salicylate (jp15/usp) C18H16O5 312.3166 312.099773622 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one 8-desmethyleucalyptin 5689-38-3 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC)C(C)=C2O InChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3 QPWOSZAYIILLKU-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-4-unsubstituted benzenoids 4'-O-methylated flavonoids 5-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 3.68 ALOGPS logs -4.20 ALOGPS solubility 1.99e-02 g/l ALOGPS melting_point Mp 187-188° logp 3.51 ChemAxon pka_strongest_acidic 8.96 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one ChemAxon average_mass 312.3166 ChemAxon mono_mass 312.099773622 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(OC)C(C)=C2O ChemAxon formula C18H16O5 ChemAxon inchi InChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3 ChemAxon inchikey QPWOSZAYIILLKU-UHFFFAOYSA-N ChemAxon polar_surface_area 64.99 ChemAxon refractivity 86.92 ChemAxon polarizability 33.12 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9300 Specdb::CMs 44860 Specdb::CMs 148645 Specdb::MsMs 60039 Specdb::MsMs 60040 Specdb::MsMs 60041 Specdb::MsMs 116289 Specdb::MsMs 116290 Specdb::MsMs 116291 Specdb::MsMs 2676652 Specdb::MsMs 2676653 Specdb::MsMs 3029633 Specdb::MsMs 3029634 Specdb::MsMs 3029635 HMDB36411 #<Reference:0x000055ce30115478> Beverages Unknown generic Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442