Record No. 1 of 4

ID1082
NameActinodaphine
Pubchem ID160502
KEGG IDC09322
SourceIlligera luzonensis
TypeNatural
FunctionAntimicrobial
Drug Like PropertiesYes
Molecular Weight311.33
Exact mass311.115758
Molecular formulaC18H17NO4
XlogP2.4
Topological Polar Surface Area60
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILECOC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 4

ID1639
NameBulbocapnine
Pubchem ID12441
KEGG IDC09367
SourceIlligera luzonensis
TypeNatural
FunctionDopamine Antagonist
Drug Like PropertiesYes
Molecular Weight325.36
Exact mass325.131408
Molecular formulaC19H19NO4
XlogP2.9
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3
Drugpediawiki
References1. Chen,J.Nat.Prod.,60,(1997),645
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 3 of 4

ID2530
NameLiriodenine
Pubchem ID10144
KEGG IDC09567
SourceIlligera luzonensis
TypeNatural
FunctionAntifungal
Drug Like PropertiesYes
Molecular Weight275.26
Exact mass275.058243
Molecular formulaC17H9NO3
XlogP3.4
Topological Polar Surface Area48.4
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILEN/A
Drugpediawiki
References1. Chen,J.Nat.Prod.,60,(1997),645
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 4 of 4

ID2856
NameO-Methylbulbocapnine
Pubchem ID273033
KEGG IDN/A
SourceIlligera luzonensis
TypeNatural
FunctionAntiplatelet
Drug Like PropertiesYes
Molecular Weight339.39
Exact mass339.147058
Molecular formulaC20H21NO4
XlogP3.2
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)OC)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records