Record No. 1 of 2

ID2183
NameGigantine
Pubchem ID442237
KEGG IDC09445
SourceCarnegiea gigantea
TypeNatural
FunctionHallucinogenic
Drug Like PropertiesYes
Molecular Weight237.29
Exact mass237.136493
Molecular formulaC13H19NO3
XlogP1.8
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count2
IUPAC Name(1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1C2=CC(=C(C(=C2CCN1C)O)OC)OC
Isomeric SMILEC[C@H]1C2=CC(=C(C(=C2CCN1C)O)OC)OC
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records  
Record No. 2 of 2

ID2262
NameHeliamine
Pubchem ID15623
KEGG IDC09460
SourceCarnegiea gigantea
TypeNatural
FunctionAnticancer
Drug Like PropertiesYes
Molecular Weight193.24
Exact mass193.110279
Molecular formulaC11H15NO2
XlogP1.3
Topological Polar Surface Area30.5
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count2
IUPAC Name6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2CNCCC2=C1)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
2. Source  
3. Function  
4. All Records