BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 3

ID	1909
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Chasmanthera dependens
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	3309
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Chasmanthera dependens
Type	Natural
Function	Cytotoxic
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 3

ID	3332
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Chasmanthera dependens
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records