BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2907
NamePapaverine adenylate
Pubchem ID83861
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight686.61
Exact mass686.210143
Molecular formulaC30H35N6O11P
XlogPN/A
Topological Polar Surface Area236
H-Bond Donor5
H-Bond Acceptor16
Rotational Bond Count10
IUPAC Name[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyldihydrogen phosphate;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
Isomeric SMILECOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
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