Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D0C6QS
|
|||
Former ID |
DNC013642
|
|||
Drug Name |
GERANIIN
|
|||
Synonyms |
Geraniin; 60976-49-0; AC1L3GGN; AC1Q6OHG; SCHEMBL13242673; HY-N0472; AN-8034; 3,4,4,6,7,15,16,17,18,19,20-undecahydroxy-2,9,13,22,27-pentaoxo-2,3,4,4a,9,11a,13,22,24,25,25a,27-dodecahydro-11h-3,5-epoxy-25,11-(epoxymethano)dibenzo[h,j]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacyclododecin-29-yl 3,4,5-trihydroxybenzoate; beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), cyclic 2-2:4-1-ester with 2-(2-carboxy-4,5,6-trioxo-2-cycl
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
|
|||
Formula |
C41H28O27
|
|||
Canonical SMILES |
C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
|
|||
InChI |
1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1
|
|||
InChIKey |
JQQBXPCJFAKSPG-SVYIMCMUSA-N
|
|||
PubChem Compound ID | ||||
ChEBI ID |
CHEBI:5328
|
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. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.