BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	3405
Name	Thalifaberidine
Pubchem ID	157828
KEGG ID	N/A
Source	Thalictrum faberi
Type	Natural
Function	Cytotoxic
Drug Like Properties	No
Molecular Weight	668.78
Exact mass	668.309766
Molecular formula	C₃₉H₄₄N₂O₈
XlogP	6
Topological Polar Surface Area	102
H-Bond Donor	2
H-Bond Acceptor	10
Rotational Bond Count	9
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C(C(=C(C3=C2C1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 2

ID	3406
Name	Thalifaberidine
Pubchem ID	157828
KEGG ID	N/A
Source	Thalictrum faberi
Type	Natural
Function	Antimalarial
Drug Like Properties	No
Molecular Weight	668.78
Exact mass	668.309766
Molecular formula	C₃₉H₄₄N₂O₈
XlogP	6
Topological Polar Surface Area	102
H-Bond Donor	2
H-Bond Acceptor	10
Rotational Bond Count	9
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C(C(=C(C3=C2C1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=C(C(=C(C=C43)OC)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)O)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records