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Drug Details

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Name:1(3H)-one
PubChem ID:46839320
Pathway:Show KEGG pathways
InChI:InChI=1S/C28H32N8O8/c1-13(4-5-16-21(37)19-17(9-43-28(19)40)14(2)24(16)41-3)6-35-7-15(33-34-35)8-42-10-18-22(38)23(39)27(44-18)36-12-32-20-25(29)30-11-31-26(20)36/h4,7,11-12,18,22-23,27,37-39H,5-6,8-10H2,1-3H3,(H2,29,30,31)/b13-4+/t18-,22-,23-,27-/m1/s1
SMILES:COc1c(C/C=C(/Cn2nnc(c2)COC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)\C)c(O)c2c(c1C)COC2=O

Properties:
Formula:C28H32N8O8Atoms:44
Molecular Weight:608.602Rotatable Bonds:10
H-bond Acceptors:16H-bond Donors:4
logP:1.2992
Targets:
Synonyms:
1(3H)-one
2-en-1-yl)-7-hydroxy-5-methoxy-4-methylisobenzofuran-
6-((E)-4-(4-(Adenosin-5'-yl)methyl-1H-1,2,3-triazol-1-yl)-3-methylbut-
CHEBI:749513
CHEMBL1170851