BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1805
NameCo-codaprin
Pubchem ID5748307
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight479.52
Exact mass479.194402
Molecular formulaC27H29NO7
XlogPN/A
Topological Polar Surface Area106
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILECC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
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