BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 3

ID	1132
Name	Allocryptopine
Pubchem ID	98570
KEGG ID	C02134
Source	Papaver rhoeas chelidonides
Type	Natural
Function	Oxytocic agent
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.9
Topological Polar Surface Area	57.2
H-Bond Donor	0
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 3

ID	1363
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papaver rhoeas chelidonides
Type	Natural
Function	Antiparasitic
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
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	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 3

ID	1467
Name	Berberine
Pubchem ID	2353
KEGG ID	D06817
Source	Papaver rhoeas chelidonides
Type	Natural
Function	Antidiarrheal
Drug Like Properties	Yes
Molecular Weight	336.36
Exact mass	336.123583
Molecular formula	C₂₀H₁₈NO₄+
XlogP	3.6
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	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records