Record No. 1 of 2

ID1025
Name1-methoxyberberium
Pubchem ID3082297
KEGG IDN/A
SourceDactylicapnos torulosa
TypeNatural
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight401.84
Exact mass401.103
Molecular formulaC21H20ClNO5
XlogPN/A
Topological Polar Surface Area50
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=C(C5=C(C=C4CC3)OCO5)OC)OC.[Cl-]
Isomeric SMILEN/A
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Record No. 2 of 2

ID3504
NameZijinlongine
Pubchem ID131593
KEGG IDN/A
SourceDactylicapnos torulosa
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight383.39
Exact mass383.136887
Molecular formulaC21H21NO6
XlogP2.1
Topological Polar Surface Area69.6
H-Bond Donor1
H-Bond Acceptor7
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C2C(=CC3=C1OCO3)CCN4C2(CC5=C(C4)C6=C(C=C5)OCO6)CO
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
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