BIAdb: A Database for Benzylisoquinoline Alkaloids

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Citation: If you are using this server please cite:- Singla D, Sharma A, Kaur J, Panwar B, and Raghava GPS (2010): BIAdb: A curated database of benzylisoquinoline alkaloids. BMC Pharmacology 10:4.

Record No. 1 of 39

ID	1001
Name	10,11-dihydroxy-N-allylnoraporphine
Pubchem ID	838674
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	293.36
Exact mass	293.141579
Molecular formula	C₁₉H₁₉NO₂
XlogP	2.9
Topological Polar Surface Area	43.7
H-Bond Donor	2
H-Bond Acceptor	3
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C=CCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O
Isomeric SMILE	C=CCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 39

ID	1002
Name	10,11-dihydroxy-N-methylnorapomorphine
Pubchem ID	192371
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	281.35
Exact mass	281.141579
Molecular formula	C₁₈H₁₉NO₂
XlogP	3
Topological Polar Surface Area	43.7
H-Bond Donor	2
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC12CC3=C(C4=C1C(=CC=C4)CCN2C)C(=C(C=C3)O)O
Isomeric SMILE	C[C@@]12CC3=C(C4=C1C(=CC=C4)CCN2C)C(=C(C=C3)O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 39

ID	1012
Name	11-hydroxy-N-(n-propyl)noraporphine
Pubchem ID	127708
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	279.38
Exact mass	279.162314
Molecular formula	C₁₉H₂₁NO
XlogP	3.5
Topological Polar Surface Area	23.5
H-Bond Donor	1
H-Bond Acceptor	2
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=CC=C4)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 39

ID	1027
Name	2,3,10,11-tetrahydroxyberbine
Pubchem ID	419774
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	299.32
Exact mass	299.115758
Molecular formula	C₁₇H₁₇NO₄
XlogP	1.9
Topological Polar Surface Area	84.2
H-Bond Donor	4
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CN2CC3=CC(=C(C=C3CC2C4=CC(=C(C=C41)O)O)O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 39

ID	1033
Name	2-fluoroapomorphine
Pubchem ID	128965
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	285.31
Exact mass	285.116507
Molecular formula	C₁₇H₁₆FNO₂
XlogP	2.4
Topological Polar Surface Area	43.7
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C3C1CC4=C(C3=CC(=C2)F)C(=C(C=C4)O)O
Isomeric SMILE	CN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)F)C(=C(C=C4)O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 39

ID	1898
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Enantia chlorantha
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. 7 of 39

ID	1899
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Anamirta cocculus
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. 8 of 39

ID	1900
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Berberis aemulans
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. Lu,Yaoxue Xuebao,30,(1995),280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 39

ID	1901
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Berberis crataegina
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. Telezhenetskaya,Khim.Prir.Soedin.,(1996),106 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 10 of 39

ID	1902
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Berberis oblonga
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. V.M.Oleksevik,Introd.Eksp.Ekol.Rosl.,1,(1972),1 2. A.Karimov,Khim.Prir.Soedin.,11,(1975),433 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 11 of 39

ID	1903
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Berberis poirettii
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. Lu,Yaoxue Xuebao,30,(1995),280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 39

ID	1904
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Berberis pruinosa
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. Lu,Yaoxue Xuebao,30,(1995),280 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 13 of 39

ID	1905
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Berberis turcomanica
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. Karimov,Khim.Prir.Soedin.,(1993),77 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 39

ID	1906
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Berberis vulgaris
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. 15 of 39

ID	1907
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Burasaia australis
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. 16 of 39

ID	1908
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Burasaia congesta
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. 17 of 39

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. 18 of 39

ID	1910
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Coptis quinquefolia
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. 19 of 39

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. 20 of 39

ID	1912
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Fibraurea chloroleuca
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. 21 of 39

ID	1913
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Fissistigma balansae
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. Chia,Phytochem.,48,(1998),367 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 22 of 39

ID	1914
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Isopyrum thalictroides
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. Istatkova,Phytochem.,54,(2000),959 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 23 of 39

ID	1915
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Jateorhiza palmata
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. 24 of 39

ID	1916
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Mahonia japonica
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. Ikuta,Plant Tissue Culture (Maruzen Tokyo)(1982),315 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 25 of 39

ID	1917
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Mahonia repens
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. 26 of 39

ID	1918
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Nandina domestica
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. Ikuta,Plant Tissue Culture (Maruzen Tokyo)(1982),315 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 27 of 39

ID	1919
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Ranunculus serbicus
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. Bonara,Phyton Horn Australia,30,(1990),265 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 28 of 39

ID	1920
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum alpinum
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. 29 of 39

ID	1921
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum foliolosum
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. 30 of 39

ID	1922
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum javanicum
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. 31 of 39

ID	1923
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum longistylum
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. 32 of 39

ID	1924
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum minus
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. 33 of 39

ID	1925
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum minus
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. 34 of 39

ID	1926
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum podocarpum
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. 35 of 39

ID	1927
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum revolutum
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. 36 of 39

ID	1928
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Thalictrum rogosum
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. Wu-N.Wu,Lloydia,39,(1976),65 2. Mitscher,Lloydia,35,(1972),167 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 37 of 39

ID	1929
Name	Columbamine
Pubchem ID	72310
KEGG ID	C01795
Source	Tinospora capillipes
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. 38 of 39

ID	2683
Name	Methylenedioxy-N-propylnoraporphine
Pubchem ID	133642
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	307.39
Exact mass	307.157229
Molecular formula	C₂₀H₂₁NO₂
XlogP	4.2
Topological Polar Surface Area	21.7
H-Bond Donor	0
H-Bond Acceptor	3
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCCN1CCC2=CC=CC3=C2C1CC4=C3C5=C(C=C4)OCO5
Isomeric SMILE	CCCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C5=C(C=C4)OCO5
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 39 of 39

ID	2792
Name	N-n-propylnorapomorphine
Pubchem ID	30137
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Dopamine Agonist
Drug Like Properties	Yes
Molecular Weight	295.38
Exact mass	295.157229
Molecular formula	C₁₉H₂₁NO₂
XlogP	3.2
Topological Polar Surface Area	43.7
H-Bond Donor	2
H-Bond Acceptor	3
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records