Compound: Corilagin
SMILES: O=C1O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)COC(c3c(-c4c1cc(O)c(c4O)O)c(O)c(O)c(O)c3)=O)OC(=O)c5cc(O)c(O)c(c5)O
InChIKey: TUSDEZXZIZRFGC-XIGLUPEJSA-N
Synonyms: Corilagin, 23094-69-1, CHEBI:3884, [(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate, DTXSID90865084, ((1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo(17.3.1.04,9.010,15)tricosa-4,6,8,10,12,14-hexaen-21-yl) 3,4,5-trihydroxybenzoate, (1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo(17.3.1.0^(4,9).0^(10,15))tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate, (1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate, RefChem:919057, DTXCID00813536, 62LOS9TW6D, MFCD00238565, CHEMBL449392, 2088321-44-0, C27H22O18, corilagina, Corillagin, NP-004255, Corilagin, analytical standard, SCHEMBL329080, 1-O-Galloyl-3,6-hexahydroxydiphenol-D-glucopyranose, SCHEMBL29994662, DTXSID301104707, GLXC-20959, BDBM50242279, MSK168513, s9090, AKOS015896840, CCG-270295, MC11453, DA-62460, Q909822, (beta-1-O-galloyl-3,6-(R)-hexahydroxydiphenoyl-d-glucose), 1-O-galloyl-3,6-hexahydroxydiphenic acid-beta-D-glucopyranose, .beta.-D-Glucopyranose, cyclic 3,6-[(1R)-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate), 3-O,6-O-[carbonyl(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)carbonyl]-1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose, 6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4(9),5,7,10(15),11,13-hexaene, 6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene, Corilagin[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate; Corillagin, I(2)-D-Glucopyranose, cyclic 3,6-(4,4a(2),5,5a(2),6,6a(2)-hexahydroxy[1,1a(2)-biphenyl]-2,2a(2)-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)
Theoretical properties:
molecular_formula: C27H22O18
molecular_weight: 634.5 g/mol
exact_mass: 634.08061385 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 11
hydrogen_bond_acceptor_count: 18
rotatable_bond_count: 3
heavy_atom_count: 45
topological_polar_surface_area: 311 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Corilagin is an ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core. It has a role as an antioxidant, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a non-steroidal anti-inflammatory drug and an antihypertensive agent. It is an ellagitannin and a gallate ester.
chebi: An ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core.
chembl: CORILAGIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Corilagin is an ellagitannin. Corilagin was first isolated in 1951 from Dividivi extract and from Caesalpinia coriaria, hence the name of the molecule. It can also be found in Alchornea glandulosa and in the leaves of Punica granatum (pomegranate). 
It is a weak carbonic anhydrase inhibitor.
Ellagic acid and corilagin inhibit TGF-β1–dependent EMT and has been shown to attenuate fibrogenesis in a mouse model.  Fibrosis is also indicated in many health conditions, including skin aging and MRSA susceptibility.