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	1716
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Alangium lamarckii
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 2 of 20

ID	1717
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Alangium longiflorum
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Sakurai,Phytochem.,67,(2006),894 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 3 of 20

ID	1718
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Cephaelis ipecacuanha
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 4 of 20

ID	1719
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia asaroides
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 5 of 20

ID	1720
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia bahiensis
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 6 of 20

ID	1721
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia barnimiana
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 20

ID	1722
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia brasiliensis
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 20

ID	1723
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia bryonifolia
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 20

ID	1724
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia cayapiaa
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 10 of 20

ID	1725
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia contrajerva
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 20

ID	1726
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia drakena
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 20

ID	1727
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia excentria
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 13 of 20

ID	1728
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia heringerii
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 20

ID	1729
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia lindeniana
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 15 of 20

ID	1730
Name	Cephaelin
Pubchem ID	442195
KEGG ID	C09390
Source	Dorstenia psilurus
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	466.61
Exact mass	466.283158
Molecular formula	C₂₈H₃₈N₂O₄
XlogP	4.4
Topological Polar Surface Area	63.2
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	6
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 16 of 20

ID	2076
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Uragoga ipecacuanha
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 17 of 20

ID	2077
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Uragoga acuminata
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 18 of 20

ID	2078
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Alangium longiflorum
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Sakurai,Phytochem.,67,(2006),894 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 19 of 20

ID	2079
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Cephaelis acuminata
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 20 of 20

ID	2080
Name	Emetine
Pubchem ID	10219
KEGG ID	C09421
Source	Cephaelis ipecacuanha
Type	Natural
Function	Protein synthesis inhibitor
Drug Like Properties	Yes
Molecular Weight	480.64
Exact mass	480.298808
Molecular formula	C₂₉H₄₀N₂O₄
XlogP	4.7
Topological Polar Surface Area	52.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	7
IUPAC Name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Isomeric SMILE	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records