REF
2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
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is present as a standalone ligand in 3 entries
Chemical Component Summary | |
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Name | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione |
Synonyms | Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone |
Identifiers | n/a |
Formula | C14 H6 O8 |
Molecular Weight | 302.193 |
Type | NON-POLYMER |
Isomeric SMILES | c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O |
InChI | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
InChIKey | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 13 |
Drug Info: DrugBank
DrugBank ID | DB08846 |
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Name | Ellagic acid |
Groups | investigational |
Description | Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acid's therapeutic action mostly involves antioxidant and anti-proliferative effects. |
Synonyms |
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Indication | Ellagic acid is being investigated for use in follicular lymphoma, brain injury in intrauterine growth restricted babies, obese adolescents, and solar lentigines. |
Categories |
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CAS number | 476-66-4 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Carbonic anhydrase 1 | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISV... | unknown | inhibitor |
Carbonic anhydrase 2 | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS... | unknown | inhibitor |
Carbonic anhydrase 3 | MAKEWGYASHNGPDHWHELFPNAKGENQSPVELHTKDIRHDPSLQPWSVS... | unknown | inhibitor |
Carbonic anhydrase 4 | MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDR... | unknown | inhibitor |
Carbonic anhydrase 5A, mitochondrial | MLGRNTWKTSAFSFLVEQMWAPLWSRSMRPGRWCSQRSCAWQTSNNTLHP... | unknown | inhibitor |
View More |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL6246 |
PubChem | 5281855 |
ChEMBL | CHEMBL6246 |
ChEBI | CHEBI:4775 |
CCDC/CSD | RUWGIA, KUVBEI, DIDTUH, KUVBEI01, DIDVAP, RUWGEW, ELLAGC, MUPMUG, KUFBIY, VASYEU, OKEYUB, ICOVIJ |
COD | 4501799, 4501800 |