BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 7

ID	1680
Name	Capaurine
Pubchem ID	94149
KEGG ID	C09371
Source	Stephania kwangsiensis
Type	Natural
Function	Uterine stimulant
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	2.9
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 7

ID	2003
Name	Dehydrostephanine
Pubchem ID	156870
KEGG ID	N/A
Source	Stephania kwangsiensis
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	307.34
Exact mass	307.120843
Molecular formula	C₁₉H₁₇NO₃
XlogP	4.4
Topological Polar Surface Area	30.9
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C5C=CC=C(C5=CC1=C24)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 7

ID	2307
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania kwangsiensis
Type	Natural
Function	Calcium channel blocker
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 7

ID	2354
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania kwangsiensis
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 7

ID	3110
Name	Roemerine
Pubchem ID	119204
KEGG ID	N/A
Source	Stephania kwangsiensis
Type	Natural
Function	Adrenergic alpha-blocker
Drug Like Properties	Yes
Molecular Weight	279.33
Exact mass	279.125929
Molecular formula	C₁₈H₁₇NO₂
XlogP	3.3
Topological Polar Surface Area	21.7
H-Bond Donor	0
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 7

ID	3320
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania kwangsiensis
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. 7 of 7

ID	3343
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania kwangsiensis
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