BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	3363
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Cyclea burmannii
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Drugpedia	wiki
References	1. Bandara,Planta Med.,56,(1990),245 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 2

ID	3371
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Cyclea burmannii
Type	Natural
Function	Antifibrotic
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Drugpedia	wiki
References	1. Bandara,Planta Med.,56,(1990),245 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records