Pedunculagin

Pedunculagin

Identifiers
3D model (Jmol)	Interactive image
ChemSpider	391045
PubChem	442688
InChI InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1 Key: IYMHVUYNBVWXKH-ZITZVVOASA-N InChI=1/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1 Key: IYMHVUYNBVWXKH-ZITZVVOABK
SMILES c1c2c(c(c(c1O)O)O)-c3c(cc(c(c3O)O)O)C(=O)O[C@@H]4[C@@H](COC2=O)OC([C@H]5[C@H]4OC(=O)c6cc(c(c(c6-c7c(cc(c(c7O)O)O)C(=O)O5)O)O)O)O
Properties
Chemical formula	C34H24O22
Molar mass	784.54 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Pedunculagin is an ellagitannin. It is formed from casuarictin via the loss of a gallate group.

Pedunculagin is found in plants in orders in the clade Rosidae. It can be found the pericarp of pomegranates (Punica granatum), in the family Lythraceae, in the order Myrtales. It is also found in plants in the order Fagales such as walnuts (Juglans regia) in the family Juglandaceae, in Alnus sieboldiana and in the Manchurian alder (Alnus hirsuta var. microphylla), both species in the family Betulaceae and it is one of the main oak wood ellagitannins along with castalagin, vescalagin, grandinin and roburins A-E (genus Quercus, in the family Fagaceae). It is also found in the Indian gooseberry (Phyllanthus emblica), a plant in the family Phyllanthaceae, in the order Malpighiales.

Galloyl pedunculagin can be found in Platycarya strobilacea.

It is a highly active carbonic anhydrase inhibitor.

It is an isomer of terflavin B. It can be synthetized.