Drug Information
Drug General Information | Top | |||
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Drug ID |
D06YCQ
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Former ID |
DNC013634
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Drug Name |
Procyanidin B-2 3,3'-di-O-gallate
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Synonyms |
CHEMBL506811; Bis(3,4,5-trihydroxybenzoic acid)2alpha,2'alpha-bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-4,8'-bichroman-3alpha,3'alpha-diyl ester
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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 |
C44H34O20
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Canonical SMILES |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
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InChI |
1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36?,39-,40-,42-/m1/s1
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InChIKey |
KTLUHRSHFRODPS-ZMSZJQPBSA-N
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PubChem Compound ID |
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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