1.0 2010-04-08 22:15:05 UTC 2025-11-19 02:32:24 UTC FDB020529 Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] Constituent of the leaves of clove Syzygium aromaticum. Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] is found in herbs and spices. C23H26O11 478.4459 478.147511674 {3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate {3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate 152041-15-1 COC1=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=CC(CC=C)=C1 InChI=1S/C23H26O11/c1-3-4-11-5-6-15(16(7-11)31-2)33-23-21(29)20(28)19(27)17(34-23)10-32-22(30)12-8-13(24)18(26)14(25)9-12/h3,5-9,17,19-21,23-29H,1,4,10H2,2H3 MXIGGCCKAQLWPD-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 4'-O-methylated flavonoids 5-O-methylated flavonoids 8-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-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 ester logp 1.79 ALOGPS logs -2.84 ALOGPS solubility 6.85e-01 g/l ALOGPS melting_point Mp 207-208° logp 1.93 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac {3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 478.4459 ChemAxon mono_mass 478.147511674 ChemAxon smiles COC1=C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C=CC(CC=C)=C1 ChemAxon formula C23H26O11 ChemAxon inchi InChI=1S/C23H26O11/c1-3-4-11-5-6-15(16(7-11)31-2)33-23-21(29)20(28)19(27)17(34-23)10-32-22(30)12-8-13(24)18(26)14(25)9-12/h3,5-9,17,19-21,23-29H,1,4,10H2,2H3 ChemAxon inchikey MXIGGCCKAQLWPD-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 116.7 ChemAxon polarizability 47.12 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11980 Specdb::CMs 46927 Specdb::CMs 145829 Specdb::MsMs 292381 Specdb::MsMs 292382 Specdb::MsMs 292383 Specdb::MsMs 332557 Specdb::MsMs 332558 Specdb::MsMs 332559 Specdb::MsMs 3040078 Specdb::MsMs 3040079 Specdb::MsMs 3040080 Specdb::MsMs 3102989 Specdb::MsMs 3102990 Specdb::MsMs 3102991 HMDB40721 #<Reference:0x000055ce31a5bd38> Herbs and Spices Unknown generic