BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	1560
Name	Bisnordihydrotoxiferine
Pubchem ID	6440874
KEGG ID	N/A
Source	Strychnos trinervis
Type	Natural
Function	Antidiarrheal
Drug Like Properties	No
Molecular Weight	552.75
Exact mass	552.325297
Molecular formula	C₃₈H₄₀N₄
XlogP	4.3
Topological Polar Surface Area	13
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC=C1CN2CCC34C2CC1C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CCN1CC9=CC)C1=CC=CC=C16
Isomeric SMILE	C/C=C/1C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=CN8C3C9(C3=CC=CC=C83)C(C2)N(C1)CC9)/C1/C(=CC)/CN(C6C1)CC7
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 2

ID	1561
Name	Bisnordihydrotoxiferine
Pubchem ID	6440874
KEGG ID	N/A
Source	Strychnos trinervis
Type	Natural
Function	Anticathartic
Drug Like Properties	No
Molecular Weight	552.75
Exact mass	552.325297
Molecular formula	C₃₈H₄₀N₄
XlogP	4.3
Topological Polar Surface Area	13
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC=C1CN2CCC34C2CC1C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CCN1CC9=CC)C1=CC=CC=C16
Isomeric SMILE	C/C=C/1C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=CN8C3C9(C3=CC=CC=C83)C(C2)N(C1)CC9)/C1/C(=CC)/CN(C6C1)CC7
Drugpedia	wiki
References	1. Source 2. Function 3. All Records