TTD | Drug: D0C6QS

Drug General Information
Drug ID	D0C6QS
Former ID	DNC013642
Drug Name	GERANIIN
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[526128]
Structure		Download 2D MOL 3D MOL
Formula	C41H28O27
Canonical SMILES	C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=<br />C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=C<br />C(=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	115063
Target and Pathway
Target(s)	Squalene monooxygenase	Target Info	Inhibitor	[526128]
KEGG Pathway	Steroid biosynthesis
	Sesquiterpenoid and triterpenoid biosynthesis
	Metabolic pathways
	Biosynthesis of secondary metabolites
	Biosynthesis of antibiotics
PathWhiz Pathway	Steroid Biosynthesis
Reactome	Cholesterol biosynthesis
Reactome	Activation of gene expression by SREBF (SREBP)
References
Ref 526128	J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.
Ref 526128	J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.

Drug Information