1.0 2010-04-08 22:09:56 UTC 2025-11-18 23:32:42 UTC FDB011984 Jaceidin Found in buds of Prunus avium (wild cherry) 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one, 9CI 5,7,4'-Trihydroxy-3,6,3'-trimethoxyflavone Jaceidin Jaceidine Polycladin Quercetagetin 3,3',6-trimethyl ether C18H16O8 360.3148 360.084517488 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-4H-chromen-4-one jaceidin 10173-01-0 COC1=C(O)C=CC(=C1)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2O InChI=1S/C18H16O8/c1-23-11-6-8(4-5-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3 XUWTZJRCCPNNJR-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. 6-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 7-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-methoxyflavonoid-skeleton 7-hydroxyflavonoid 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 logp 2.89 ALOGPS logs -3.69 ALOGPS solubility 7.28e-02 g/l ALOGPS melting_point Mp 130-135° (203°) logp 2.26 ChemAxon pka_strongest_acidic 6.96 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-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(O1)C=C(O)C(OC)=C2O ChemAxon formula C18H16O8 ChemAxon inchi InChI=1S/C18H16O8/c1-23-11-6-8(4-5-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3 ChemAxon inchikey XUWTZJRCCPNNJR-UHFFFAOYSA-N ChemAxon polar_surface_area 114.68 ChemAxon refractivity 92.56 ChemAxon polarizability 35.47 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21269 Specdb::CMs 43520 Specdb::CMs 156246 Specdb::MsMs 6779 Specdb::MsMs 6780 Specdb::MsMs 6781 Specdb::MsMs 13451 Specdb::MsMs 13452 Specdb::MsMs 13453 Specdb::MsMs 439893 Specdb::MsMs 440509 Specdb::MsMs 450120 Specdb::MsMs 450121 Specdb::MsMs 450122 Specdb::MsMs 452227 Specdb::MsMs 2237757 Specdb::MsMs 2239824 Specdb::MsMs 2239889 Specdb::MsMs 2241809 Specdb::MsMs 2241999 Specdb::MsMs 2243880 Specdb::MsMs 2344625 Specdb::MsMs 2344626 Specdb::MsMs 2344627 Specdb::MsMs 2591047 Specdb::MsMs 2591048 Specdb::MsMs 2591049 HMDB33819 #<Reference:0x000055ce31746fa8> Fruits Unknown generic German camomile Type 1 specific Matricaria recutita 127986 Sweet cherry Type 1 specific Prunus avium 42229 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.