Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01VEP
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| Former ID |
DNC013639
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| Drug Name |
N-cetylgallate
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| Synonyms |
Cetyl gallate; 5026-65-3; Hexadecyl Gallate; Hexadecyl 3,4,5-trihydroxybenzoate; Gallic Acid Cetyl Ester; n-cetylgallate; n-Hexadecyl-gallate; UNII-X1J85N35ZO; CHEMBL464675; X1J85N35ZO; 3,4,5-Trihydroxybenzoic acid hexadecyl ester; Cetylgallat; HexadecylGallate; EINECS 225-715-7; ACMC-209kkz; AC1L2VUG; AC1Q67EH; Gallic Acid Hexadecyl Ester; SCHEMBL36506; Benzoic acid, 3,4,5-trihydroxy-, hexadecyl ester; CTK8B1762; DTXSID00198254; MolPort-006-116-598; TYCUSKFOGZNIBO-UHFFFAOYSA-N; KS-000013SR; BDBM50250973; ANW-30945; ZINC33861467
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C23H38O5
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| Canonical SMILES |
CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
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| InChI |
1S/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-23(27)19-17-20(24)22(26)21(25)18-19/h17-18,24-26H,2-16H2,1H3
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| InChIKey |
TYCUSKFOGZNIBO-UHFFFAOYSA-N
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| CAS Number |
CAS 5026-65-3
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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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