1.02010-04-08 22:13:54 UTC2019-11-26 03:16:35 UTCFDB018734Punicacortein CConstituent of Punica granatum (pomegranate). Punicacortein C is found in fruits and pomegranate.Punicacortein CC48H28O301084.71791084.066539556(10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(27),2,4,6,15,17,19,21(30),22,24(29),28(33),34-dodecaene-8,14,26,31-tetrone(10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(27),2,4,6,15,17,19,21(30),22,24(29),28(33),34-dodecaene-8,14,26,31-tetrone103616-63-3[H][C@@]1(O)[C@@H]2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(C=C(O)C(O)=C1O)C(=O)O[C@H]2[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@H]1OInChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2/t11-,34+,38-,41+,42+/m1/s1FESAEKUFXJFTFG-AVXRNDHPSA-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 tanninsOrganic compoundsPhenylpropanoids and polyketidesTanninsHydrolyzable tanninsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyrans7,8-dihydroxycoumarinsCarboxylic acid estersEllagic acids and derivativesGallic acid and derivativesHeteroaromatic compoundsHydrocarbon derivativesIsocoumarins and derivativesLactonesMacrolides and analoguesOrganic oxidesOxacyclic compoundsPolyolsPyranones and derivativesSecondary alcoholsTetracarboxylic acids and derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid2-benzopyran7,8-dihydroxycoumarinAlcoholAromatic heteropolycyclic compoundBenzenoidBenzopyranCarboxylic acid derivativeCarboxylic acid esterCoumarinEllagic_acidGallic acid or derivativesHeteroaromatic compoundHydrocarbon derivativeHydrolyzable tanninIsochromaneIsocoumarinLactoneMacrolideOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePolyolPyranPyranoneSecondary alcoholTetracarboxylic acid or derivativeslogp3.03logs-2.45solubility3.87e+00 g/llogp2.96pka_strongest_acidic5.12pka_strongest_basic-4.8iupac(10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0^{2,7}.0^{15,20}.0^{21,30}.0^{24,29}.0^{28,33}]pentatriaconta-1(27),2,4,6,15,17,19,21(30),22,24(29),28(33),34-dodecaene-8,14,26,31-tetroneaverage_mass1084.7179mono_mass1084.066539556smiles[H][C@@]1(O)[C@@H]2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(C=C(O)C(O)=C1O)C(=O)O[C@H]2[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@H]1OformulaC48H28O30inchiInChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2/t11-,34+,38-,41+,42+/m1/s1inchikeyFESAEKUFXJFTFG-AVXRNDHPSA-Npolar_surface_area521.94refractivity247.53polarizability95.2rotatable_bond_count1acceptor_count24donor_count18physiological_charge-3formal_charge0HMDB39204#<Reference:0x0000555675e00b20>FruitsUnknowngenericPomegranateType 1specificPunica granatum2266395.095.095.0mg/100 gtopoisomerase-II inhibitor1366A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (topoisomerase II), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.