1.0 2010-04-08 22:12:36 UTC 2025-11-19 01:49:16 UTC FDB016713 Acacetin 7-diglucoside Isolated from Tanacetum vulgare (tansy). Acacetin 7-diglucoside is found in herbs and spices. Acacetin 7-diglucoside C16H12O5 284.2635 284.068473494 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one acacetin 31514-20-2 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 DANYIYRPLHHOCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone. 4'-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 5-hydroxyflavonoids 7-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-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid 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 Flavones and Flavonols dihydroxyflavone flavones monomethoxyflavone logp 3.46 ALOGPS logs -3.70 ALOGPS solubility 5.61e-02 g/l ALOGPS logp 2.85 ChemAxon pka_strongest_acidic 6.58 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 284.2635 ChemAxon mono_mass 284.068473494 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C16H12O5 ChemAxon inchi InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 ChemAxon inchikey DANYIYRPLHHOCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 77.4 ChemAxon polarizability 28.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2231 Specdb::CMs 2238 Specdb::CMs 54459 Specdb::CMs 68642 Specdb::CMs 147766 Specdb::MsMs 98373 Specdb::MsMs 98374 Specdb::MsMs 98375 Specdb::MsMs 163281 Specdb::MsMs 163282 Specdb::MsMs 163283 Specdb::MsMs 285906 Specdb::MsMs 285907 Specdb::MsMs 285908 Specdb::MsMs 285909 Specdb::MsMs 2819955 Specdb::MsMs 2819956 Specdb::MsMs 2819957 Specdb::MsMs 2889718 Specdb::MsMs 2889719 Specdb::MsMs 2889720 Herbs and Spices Unknown generic