BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2730
NameMyrocodin
Pubchem ID5362457
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight585.82
Exact mass585.381809
Molecular formulaC38H51NO4
XlogP9.5
Topological Polar Surface Area48
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count17
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCCCCCCCCCCCC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OCC6=CC=CC=C6)CCN3C
Isomeric SMILECCCCCCCCCCCCCC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OCC6=CC=CC=C6)CCN3C
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