1.0 2010-04-08 22:13:54 UTC 2025-11-19 02:14:12 UTC FDB018736 2-O-Galloylpunicalin Isolated from bark of pomegranate (Punica granatum). 2-O-Galloylpunicalin is found in fruits and pomegranate. 2-O-Galloylpunicalin Arjuna C41H26O26 934.6295 934.071231004 (10S,11S,12R,15R)-3,4,5,11,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0^{2,7}.0^{10,15}.0^{19,24}.0^{25,34}.0^{28,33}.0^{32,37}]nonatriaconta-1(31),2,4,6,19,21,23,25(34),26,28(33),32(37),38-dodecaen-12-yl 3,4,5-trihydroxybenzoate (10S,11S,12R,15R)-3,4,5,11,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0^{2,7}.0^{10,15}.0^{19,24}.0^{25,34}.0^{28,33}.0^{32,37}]nonatriaconta-1(31),2,4,6,19,21,23,25(34),26,28(33),32(37),38-dodecaen-12-yl 3,4,5-trihydroxybenzoate 103488-45-5 OC1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C4C(=O)OC5=C6C(C(=O)OC(C(O)=C3O)=C46)=C(C(O)=C5O)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@H]2[C@H](O)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C41H26O26/c42-9-1-6(2-10(43)22(9)46)36(56)67-35-31(55)32-13(63-41(35)61)5-62-37(57)7-3-11(44)23(47)25(49)14(7)16-20-18-19-21(40(60)66-33(18)29(53)27(16)51)17(28(52)30(54)34(19)65-39(20)59)15-8(38(58)64-32)4-12(45)24(48)26(15)50/h1-4,13,31-32,35,41-55,61H,5H2/t13-,31+,32-,35-,41?/m1/s1 GXNAJCYGMNREKO-XPFACKBNSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-benzopyrans 7,8-dihydroxycoumarins Benzoyl derivatives Carboxylic acid esters Ellagic acids and derivatives Galloyl esters Hemiacetals Heteroaromatic compounds Hydrocarbon derivatives Isocoumarins and derivatives Lactones Macrolides and analogues Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Tricarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran 7,8-dihydroxycoumarin Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Coumarin Ellagic_acid Gallic acid or derivatives Galloyl ester Hemiacetal Heteroaromatic compound Hydrocarbon derivative Hydrolyzable tannin Isocoumarin Lactone M-hydroxybenzoic acid ester Macrolide Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Tricarboxylic acid or derivatives logp 2.83 ALOGPS logs -2.73 ALOGPS solubility 1.74e+00 g/l ALOGPS melting_point Mp 255° dec. logp 3.09 ChemAxon pka_strongest_acidic 5.12 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (10S,11S,12R,15R)-3,4,5,11,13,21,22,23,26,27,38,39-dodecahydroxy-8,18,30,35-tetraoxo-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.0^{2,7}.0^{10,15}.0^{19,24}.0^{25,34}.0^{28,33}.0^{32,37}]nonatriaconta-1(31),2,4,6,19,21,23,25(34),26,28(33),32(37),38-dodecaen-12-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 934.6295 ChemAxon mono_mass 934.071231004 ChemAxon smiles OC1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C4C(=O)OC5=C6C(C(=O)OC(C(O)=C3O)=C46)=C(C(O)=C5O)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@H]2[C@H](O)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C41H26O26 ChemAxon inchi InChI=1S/C41H26O26/c42-9-1-6(2-10(43)22(9)46)36(56)67-35-31(55)32-13(63-41(35)61)5-62-37(57)7-3-11(44)23(47)25(49)14(7)16-20-18-19-21(40(60)66-33(18)29(53)27(16)51)17(28(52)30(54)34(19)65-39(20)59)15-8(38(58)64-32)4-12(45)24(48)26(15)50/h1-4,13,31-32,35,41-55,61H,5H2/t13-,31+,32-,35-,41?/m1/s1 ChemAxon inchikey GXNAJCYGMNREKO-XPFACKBNSA-N ChemAxon polar_surface_area 444.18 ChemAxon refractivity 211.98 ChemAxon polarizability 83.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 21 ChemAxon donor_count 15 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon HMDB39206 #<Reference:0x000055ce31e21058> Fruits Unknown generic Pomegranate Type 1 specific Punica granatum 22663 110.0 110.0 110.0 mg/100 g