BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	2778
Name	Nitidine
Pubchem ID	4501
KEGG ID	C09595
Source	Zanthoxylum usambarense
Type	Natural
Function	Anticancer
Drug Like Properties	Yes
Molecular Weight	348.37
Exact mass	348.123583
Molecular formula	C₂₁H₁₈NO₄+
XlogP	4.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 2

ID	2782
Name	Nitidine
Pubchem ID	4501
KEGG ID	C09595
Source	Zanthoxylum usambarense
Type	Natural
Function	Toxic
Drug Like Properties	Yes
Molecular Weight	348.37
Exact mass	348.123583
Molecular formula	C₂₁H₁₈NO₄+
XlogP	4.6
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records