BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 3

ID	1911
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Corydalis ophiocarpa
Type	Natural
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	338.38
Exact mass	338.139233
Molecular formula	C₂₀H₂₀NO₄+
XlogP	3.4
Topological Polar Surface Area	51.8
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 3

ID	2405
Name	Isocorypalmine
Pubchem ID	440229
KEGG ID	C04118
Source	Corydalis ophiocarpa
Type	Natural
Function	Smooth muscle relaxant
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.9
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 3

ID	3280
Name	Stylopine
Pubchem ID	440583
KEGG ID	C05175
Source	Corydalis ophiocarpa
Type	Natural
Function	Unknown
Drug Like Properties	Yes
Molecular Weight	323.34
Exact mass	323.115758
Molecular formula	C₁₉H₁₇NO₄
XlogP	3
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Isomeric SMILE	C1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6
Drugpedia	wiki
References	1. Source 2. Function 3. All Records