BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 9

ID	1161
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Annona cherimola
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. Chen,J.Chin.Chem.Soc.(Taipei),48,(2001),1203 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 9

ID	2308
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Annona cherimola
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. Chen,J.Clin.Chem.Soc.(Taipei),44,(1997),313 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 3 of 9

ID	2355
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Annona cherimola
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. Chen,J.Clin.Chem.Soc.(Taipei),44,(1997),313 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 4 of 9

ID	2508
Name	Liriodenine
Pubchem ID	10144
KEGG ID	C09567
Source	Annona cherimola
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. Chen,J.Chin.Chem.Soc.(Taipei),48,(2001),1203 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 5 of 9

ID	2953
Name	Pronuciferine
Pubchem ID	200480
KEGG ID	C09611
Source	Annona cherimola
Type	Natural
Function	Anaesthetic
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.5
Topological Polar Surface Area	38.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)OC)OC
Drugpedia	wiki
References	1. Chen,J.Chin.Chem.Soc.(Taipei),46,(1999),77 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 6 of 9

ID	3043
Name	Reticuline
Pubchem ID	10233
KEGG ID	C12328
Source	Annona cherimola
Type	Natural
Function	Dopamine Antagonist
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	3
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Yang,Zhongguo Yaoxue Zazhi,43,(1991),457 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 9

ID	3462
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona cherimola
Type	Natural
Function	Analgesic
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Chen,J.Chin.Chem.Soc.(Taipei),48,(2001),1203 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 9

ID	3474
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona cherimola
Type	Natural
Function	Leishmanicidal
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Chen,J.Chin.Chem.Soc.(Taipei),48,(2001),1203 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 9

ID	3486
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona cherimola
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Chen,J.Chin.Chem.Soc.(Taipei),48,(2001),1203 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records