Record No. 1 of 4

ID2569
NameLysicamine
Pubchem ID122691
KEGG IDN/A
SourceGuatteria amplifolia
TypeNatural
FunctionLeishmanicidal
Drug Like PropertiesYes
Molecular Weight291.30
Exact mass291.089543
Molecular formulaC18H13NO3
XlogP3.5
Topological Polar Surface Area48.4
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)OC
Isomeric SMILEN/A
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Record No. 2 of 4

ID3473
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceGuatteria amplifolia
TypeNatural
FunctionAnalgesic
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.8
Topological Polar Surface Area39.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILECOC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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Record No. 3 of 4

ID3485
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceGuatteria amplifolia
TypeNatural
FunctionLeishmanicidal
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.8
Topological Polar Surface Area39.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILECOC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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Record No. 4 of 4

ID3497
NameXylopine
Pubchem ID160503
KEGG IDC09670
SourceGuatteria amplifolia
TypeNatural
FunctionAntiplatelet
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.8
Topological Polar Surface Area39.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILECOC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpediawiki
References1. Source  
2. Function  
3. All Records