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 26

ID	1147
Name	Amurensine
Pubchem ID	442164
KEGG ID	C09333
Source	Papaver alpinum
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	325.36
Exact mass	325.131408
Molecular formula	C₁₉H₁₉NO₄
XlogP	2.7
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2C3=CC(=C(C=C3CC1C4=CC5=C(C=C24)OCO5)OC)O
Isomeric SMILE	CN1C[C@@H]2C3=CC(=C(C=C3C[C@H]1C4=CC5=C(C=C24)OCO5)OC)O
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 26

ID	1148
Name	Amurensine
Pubchem ID	442164
KEGG ID	C09333
Source	Papaver caucasicum
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	325.36
Exact mass	325.131408
Molecular formula	C₁₉H₁₉NO₄
XlogP	2.7
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2C3=CC(=C(C=C3CC1C4=CC5=C(C=C24)OCO5)OC)O
Isomeric SMILE	CN1C[C@@H]2C3=CC(=C(C=C3C[C@H]1C4=CC5=C(C=C24)OCO5)OC)O
Drugpedia	wiki
References	1. Shafiee,J.Sci.Islamic Repub.Iran,7,(1996),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 3 of 26

ID	1149
Name	Amurensine
Pubchem ID	442164
KEGG ID	C09333
Source	Papaver nudicaule
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	325.36
Exact mass	325.131408
Molecular formula	C₁₉H₁₉NO₄
XlogP	2.7
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2C3=CC(=C(C=C3CC1C4=CC5=C(C=C24)OCO5)OC)O
Isomeric SMILE	CN1C[C@@H]2C3=CC(=C(C=C3C[C@H]1C4=CC5=C(C=C24)OCO5)OC)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 26

ID	3332
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Chasmanthera dependens
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 26

ID	3333
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Parabaena sagittata
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 26

ID	3334
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania bancroftii
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 26

ID	3335
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania brachyandra
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 26

ID	3336
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania dicentrinifera
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 26

ID	3337
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania dielsiana
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 26

ID	3338
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania dolichopoda
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 26

ID	3339
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania glabra
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 12 of 26

ID	3340
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania hainanensis
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 13 of 26

ID	3341
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania intermedia
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Chen,Yao Hsueh T'ung Pao,16,(1985),1 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 26

ID	3342
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania kuinanensis.
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 15 of 26

ID	3343
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania kwangsiensis
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 16 of 26

ID	3344
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania mashanica
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 17 of 26

ID	3345
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania micrantha
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 18 of 26

ID	3346
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania pierrei
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 19 of 26

ID	3347
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania sasakii
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 20 of 26

ID	3348
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania sinica
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 21 of 26

ID	3349
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania suberosa
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 22 of 26

ID	3350
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania succinifera
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 23 of 26

ID	3351
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania tetrandra
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 24 of 26

ID	3352
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania venosa
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 25 of 26

ID	3353
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania viridiflavens
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 26 of 26

ID	3354
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania yunnanensis
Type	Natural
Function	Tranquilizer
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Isomeric SMILE	COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records