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	1681
Name	Capaurine
Pubchem ID	94149
KEGG ID	C09371
Source	Anomianthus dulcis
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. Sinz,Biochem.Syst.Ecol.,28,(1998),139 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 3 of 7

ID	1682
Name	Capaurine
Pubchem ID	94149
KEGG ID	C09371
Source	Corydalis aurea
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 4 of 7

ID	1683
Name	Capaurine
Pubchem ID	94149
KEGG ID	C09371
Source	Corydalis micrantha
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 5 of 7

ID	1684
Name	Capaurine
Pubchem ID	94149
KEGG ID	C09371
Source	Corydalis montana
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 6 of 7

ID	1685
Name	Capaurine
Pubchem ID	94149
KEGG ID	C09371
Source	Corydalis pallida
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 7 of 7

ID	1686
Name	Capaurine
Pubchem ID	94149
KEGG ID	C09371
Source	Stephania lincangensis
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. Fang,Zhiwu Xuebao,33,(1991),552 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records