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 20

ID	1518
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Dicentra cucullaria
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 20

ID	1519
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Adlumia fungosa
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 3 of 20

ID	1520
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Ceratocapnos palaestinus
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Herath,J.Nat.Prod.,53,(1990),1006 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 4 of 20

ID	1521
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis caucasia
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Denisenko,Khim.Prir.Soedin.,(1991),439 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 5 of 20

ID	1522
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis esquirolii
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Li,Zhongcayao,22,(1991),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 6 of 20

ID	1523
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis hsuchowensis
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Zhou,Planta Med.,57,(1991),156 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 20

ID	1524
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis incisa
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 8 of 20

ID	1525
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis intermedia
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 20

ID	1526
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis lutea
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Yang,Phytochem.,33,(1993),943 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 10 of 20

ID	1527
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis majori
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Allais,Plant Med.Phytother,22,(1988),219 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 20

ID	1528
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis nobilis
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 20

ID	1529
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis omeiensis
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Xia,Zhongguo Yaoxue Zazhi,25,(1990),716 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 13 of 20

ID	1530
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis racemosa
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Joshi,Planta Med.,56,(1990),418 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 20

ID	1531
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis solida
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 15 of 20

ID	1532
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis thalictrifolia
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 16 of 20

ID	1533
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Corydalis thyrsifolia
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Li,Yaoxue Xuebao,26,(1991),303 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 20

ID	1534
Name	Bicuculline
Pubchem ID	10237
KEGG ID	C09364
Source	Fumaria bastardii
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	367.35
Exact mass	367.105587
Molecular formula	C₂₀H₁₇NO₆
XlogP	2.6
Topological Polar Surface Area	66.5
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Kucukboyaci,Nat.Prod.Sci.,4,(1998),257 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 18 of 20

ID	1552
Name	Bicuculline
Pubchem ID	6958650
KEGG ID	N/A
Source	Dicentra cucullaria
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	368.36
Exact mass	368.113412
Molecular formula	C₂₀H₁₈NO₆+
XlogP	2.6
Topological Polar Surface Area	67.7
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[NH+]1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILE	C[NH+]1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 19 of 20

ID	1554
Name	Bicuculline methiodide
Pubchem ID	104871
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	GABA-A antagonist
Drug Like Properties	No
Molecular Weight	509.29
Exact mass	509.03353
Molecular formula	C₂₁H₂₀INO₆
XlogP	N/A
Topological Polar Surface Area	63.2
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one iodide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
Isomeric SMILE	C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 20 of 20

ID	1938
Name	Coreximine
Pubchem ID	601259
KEGG ID	N/A
Source	Guatteriopsis friesiana
Type	Natural
Function	GABA-A antagonist
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.6
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records