Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03SPJ
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| Former ID |
DNC012234
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| Drug Name |
CORILAGIN
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| Synonyms |
Corilagin; 23094-69-1; CHEMBL449392; CHEBI:3884; TUSDEZXZIZRFGC-XIGLUPEJSA-N; Corillagin; Corilagin,(S); AC1Q6PBU; AC1L2K3M; (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; SCHEMBL329080; Corilagin, analytical standard; CTK4F0871; MolPort-020-005-758; b-D-Glucopyranose, cyclic3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate); ZINC4098612; BDBM50242279
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C27H22O18
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| Canonical SMILES |
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
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| InChI |
1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
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| InChIKey |
TUSDEZXZIZRFGC-XIGLUPEJSA-N
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| CAS Number |
CAS 2088321-44-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:3884
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Reverse transcriptase (HIV RT) | Target Info | Inhibitor | [2] |
| Squalene monooxygenase (SQLE) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Steroid biosynthesis | |||
| Sesquiterpenoid and triterpenoid biosynthesis | ||||
| Metabolic pathways | ||||
| Biosynthesis of secondary metabolites | ||||
| Biosynthesis of antibiotics | ||||
| Pathwhiz Pathway | Steroid Biosynthesis | |||
| Reactome | Cholesterol biosynthesis | |||
| Activation of gene expression by SREBF (SREBP) | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4. | |||
| REF 2 | HIV and reverse transcriptase inhibition by tanninsOriginal Research. Bioorg. Med. Chem. Lett. 2(12):1529-1534 (1992). | |||
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