Record No. 1 of 6

ID1080
NameActinodaphine
Pubchem ID160502
KEGG IDC09322
SourceCassytha filiformis
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. Wu,Phytother.Res.,12,(1998),1
2. Chao,Phytochem.,46,(1997),181
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
4. Source  
5. Function  
6. All Records  
Record No. 2 of 6

ID2019
NameDicentrine
Pubchem ID101300
KEGG IDN/A
SourceCassytha filiformis
TypeNatural
FunctionAntibacterial
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=CC(=C(C=C54)OC)OC)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 3 of 6

ID2020
NameDicentrine
Pubchem ID101300
KEGG IDN/A
SourceCassytha filiformis
TypeNatural
FunctionAntifungal
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=CC(=C(C=C54)OC)OC)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 4 of 6

ID2021
NameDicentrine
Pubchem ID101300
KEGG IDN/A
SourceCassytha filiformis
TypeNatural
FunctionAnticancer
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=CC(=C(C=C54)OC)OC)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 5 of 6

ID2421
NameIsoteolin
Pubchem ID133323
KEGG IDC09541
SourceCassytha filiformis
TypeNatural
FunctionInsect feeding inhibitor
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.2
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC
Drugpediawiki
References1. Chao,Phytochem.,46,(1997),181
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records  
Record No. 6 of 6

ID2853
NameOcoteine
Pubchem ID52499
KEGG IDN/A
SourceCassytha filiformis
TypeNatural
FunctionAdrenergic alpha-blocker
Drug Like PropertiesYes
Molecular Weight369.41
Exact mass369.157623
Molecular formulaC21H23NO5
XlogP3.2
Topological Polar Surface Area49.4
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=C(C3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3)OC
Isomeric SMILECN1CCC2=C(C3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records