Drug Information
Drug General Information | Top | |||
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Drug ID |
D05UWZ
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Former ID |
DNC013644
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Drug Name |
Mallotinic acid
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Synonyms |
Mallotinic acid; CHEMBL448796; CHEBI:81154; SCHEMBL5381585; BDBM50250994; C17521; Galloyl 3-O,6-O-[4-(2,3,4-trihydroxy-6-carboxyphenoxy)-4',5,5',6,6'-pentahydroxybiphenyl-2,2'-diylbis(carbonyl)]-beta-D-glucopyranoside
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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 |
C34H26O23
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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)OC6=C(C(=C(C=C6C(=O)O)O)O)O)O
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InChI |
1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,34+/m1/s1
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InChIKey |
AJIFASHLGBHDDS-GEFDNOIESA-N
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PubChem Compound ID | ||||
ChEBI ID |
CHEBI:81154
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Target and Pathway | Top | |||
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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 | |||
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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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