Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07WLU
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| Former ID |
DNC013635
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| Drug Name |
1,2,6-tri-O-galloyl-beta-D-glucose
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| Synonyms |
AC1L3XRG; 1,2,6-Tri-O-galloyl-.beta.-D-glucose; 1,2,6-Tri-O-galloyl-.beta.-D-glucopyranose; .beta.-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate); [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydrofuran-2-yl]methyl 3,4,5-trihydroxybenzoate; [(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
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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 |
C27H24O18
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| Canonical SMILES |
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
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| InChI |
1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2/t18?,22?,26-,27?/m1/s1
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| InChIKey |
KCQFLGUEZXYOER-IPKUFKRGSA-N
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| CAS Number |
CAS 79886-49-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 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. | |||
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