BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 9

ID	1171
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Annona senegalensis
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 2 of 9

ID	1179
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Annona senegalensis
Type	Natural
Function	Smooth muscle relaxant
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 3 of 9

ID	1563
Name	Boldine
Pubchem ID	10154
KEGG ID	C09365
Source	Annona senegalensis
Type	Natural
Function	Choleretics
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.7
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 4 of 9

ID	1578
Name	Boldine
Pubchem ID	10154
KEGG ID	C09365
Source	Annona senegalensis
Type	Natural
Function	laxative
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.7
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 5 of 9

ID	1593
Name	Boldine
Pubchem ID	10154
KEGG ID	C09365
Source	Annona senegalensis
Type	Natural
Function	Antioxidant
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.7
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 6 of 9

ID	2310
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Annona senegalensis
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. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 7 of 9

ID	2357
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Annona senegalensis
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. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 8 of 9

ID	2417
Name	Isoteolin
Pubchem ID	133323
KEGG ID	C09541
Source	Annona senegalensis
Type	Natural
Function	Insect feeding inhibitor
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.2
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 9 of 9

ID	2515
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona senegalensis
Type	Natural
Function	Antifungal
Drug Like Properties	Yes
Molecular Weight	275.26
Exact mass	275.058243
Molecular formula	C₁₇H₉NO₃
XlogP	3.4
Topological Polar Surface Area	48.4
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. PHilipov,Fitoterapia,66,(1995),275 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records