BIAdb: A Database for Benzylisoquinoline Alkaloids

Navigation

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 11

ID	1966
Name	Cularimine
Pubchem ID	442211
KEGG ID	C09410
Source	Ceratocapnos palaestinus
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.8
Topological Polar Surface Area	49
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	COC1=C2C3=C(CCNC3CC4=CC(=C(C=C4O2)OC)OC)C=C1
Isomeric SMILE	COC1=C2C3=C(CCN[C@H]3CC4=CC(=C(C=C4O2)OC)OC)C=C1
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. 2 of 11

ID	1967
Name	Cularimine
Pubchem ID	442211
KEGG ID	C09410
Source	Dicentra eximia
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.8
Topological Polar Surface Area	49
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	COC1=C2C3=C(CCNC3CC4=CC(=C(C=C4O2)OC)OC)C=C1
Isomeric SMILE	COC1=C2C3=C(CCN[C@H]3CC4=CC(=C(C=C4O2)OC)OC)C=C1
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 11

ID	2005
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Colchicum autumnale
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 11

ID	2006
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Andocymbium palaestinum
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Tojo,J.Nat.Prod.,52,(1989),1163 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 5 of 11

ID	2007
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Colchicum brachyphyllum
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Kaufman,Synthesis,(2005),339 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 6 of 11

ID	2008
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Colchicum megaphylla
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Ondra,Fitoterapia,65,(1994),375 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 11

ID	2009
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Colchicum turicum
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Husak,Phytochem.,29,(1990),3058 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 11

ID	2010
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Merendera kurdica
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Husek,Phytochem.,28,(1989),3217 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 11

ID	2011
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Merendera manissadjianii
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Husek,Phytochem.,28,(1989),3217 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 10 of 11

ID	2012
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Merendera robusta
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Chommadov,Khim.Prir.Soedin,(1991),67 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 11

ID	2013
Name	Demecolcine
Pubchem ID	2832
KEGG ID	C11250
Source	Merendera sobolifera
Type	Natural
Function	Antineoplastic
Drug Like Properties	Yes
Molecular Weight	371.43
Exact mass	371.173273
Molecular formula	C₂₁H₂₅NO₅
XlogP	1.4
Topological Polar Surface Area	66
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Husek,Phytochem.,28,(1989),3217 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records