Record No. 1 of 2

ID1098
NameAlangicine
Pubchem ID5460436
KEGG IDC09327
SourceAlangium lamarckii
TypeNatural
FunctionAntileprotic
Drug Like PropertiesYes
Molecular Weight480.60
Exact mass480.262422
Molecular formulaC28H36N2O5
XlogP3.6
Topological Polar Surface Area80.3
H-Bond Donor2
H-Bond Acceptor7
Rotational Bond Count6
IUPAC Name1-[[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC)O
Isomeric SMILECC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 2

ID1102
NameAlangimarine
Pubchem ID442160
KEGG IDC09329
SourceAlangium lamarckii
TypeNatural
FunctionAntileprotic
Drug Like PropertiesYes
Molecular Weight320.34
Exact mass320.116092
Molecular formulaC19H16N2O3
XlogP2.5
Topological Polar Surface Area62.7
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(=C1)CCN3C2=CC4=C(C=NC=C4C3=O)C=C)O
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records