1.0 2010-04-08 22:14:55 UTC 2019-11-26 03:18:43 UTC FDB020278 4',5,6-Trimethylscutellarein 7-glucoside Constituent of Juniperus communis (juniper). 4',5,6-Trimethylscutellarein 7-glucoside is found in fruits. 4',5,6-Trimethoxy-7-hydroxyflavone 7-O-b-D-glucopyranoside 4',5,6-Trimethylscutellarein 7-glucoside 4',5,6-Trimethylscutellarein 7-O-b-D-glucopyranoside C24H26O11 490.4566 490.147511674 5,6-dimethoxy-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5,6-dimethoxy-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 17680-85-2 COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)14-8-13(26)18-15(33-14)9-16(22(31-2)23(18)32-3)34-24-21(29)20(28)19(27)17(10-25)35-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3 GCAYMASOWMSYII-UHFFFAOYSA-N belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Anthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Aryl ketones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 9,10-anthraquinone Acetal Alcohol Alkyl aryl ether Anisole Anthraquinone Aromatic heteropolycyclic compound Aryl ketone Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Vinylogous acid logp 0.75 ALOGPS logs -3.05 ALOGPS solubility 4.39e-01 g/l ALOGPS melting_point Mp 172-175° (semisynthetic) logp -0.077 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,6-dimethoxy-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 490.4566 ChemAxon mono_mass 490.147511674 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 ChemAxon formula C24H26O11 ChemAxon inchi InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)14-8-13(26)18-15(33-14)9-16(22(31-2)23(18)32-3)34-24-21(29)20(28)19(27)17(10-25)35-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3 ChemAxon inchikey GCAYMASOWMSYII-UHFFFAOYSA-N ChemAxon polar_surface_area 153.37 ChemAxon refractivity 120.49 ChemAxon polarizability 49.39 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 298555 Specdb::MsMs 298556 Specdb::MsMs 298557 Specdb::MsMs 340339 Specdb::MsMs 340340 Specdb::MsMs 340341 Specdb::MsMs 2684250 Specdb::MsMs 2684251 Specdb::MsMs 2684252 Specdb::MsMs 3024144 Specdb::MsMs 3024145 Specdb::MsMs 3024146 Specdb::CMs 14735 Specdb::CMs 46809 Specdb::CMs 156408 Specdb::NmrOneD 41022 Specdb::NmrOneD 41023 Specdb::NmrOneD 41024 Specdb::NmrOneD 41025 Specdb::NmrOneD 41026 Specdb::NmrOneD 41027 Specdb::NmrOneD 41028 Specdb::NmrOneD 41029 Specdb::NmrOneD 41030 Specdb::NmrOneD 41031 Specdb::NmrOneD 41032 Specdb::NmrOneD 41033 Specdb::NmrOneD 41034 Specdb::NmrOneD 41035 Specdb::NmrOneD 41036 Specdb::NmrOneD 41037 Specdb::NmrOneD 41038 Specdb::NmrOneD 41039 Specdb::NmrOneD 41040 Specdb::NmrOneD 41041 HMDB40512 #<Reference:0x000055ce32401ab8> Fruits Unknown generic