BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 3

ID	1999
Name	Dehydrocrebanine
Pubchem ID	149600
KEGG ID	N/A
Source	Stephania venosa
Type	Natural
Function	Antimalarial
Drug Like Properties	Yes
Molecular Weight	337.37
Exact mass	337.131408
Molecular formula	C₂₀H₁₉NO₄
XlogP	4.3
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C5C=CC(=C(C5=CC1=C24)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 3

ID	3329
Name	Tetrahydropalmatine
Pubchem ID	72301
KEGG ID	C02890
Source	Stephania venosa
Type	Natural
Function	Cytotoxic
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. 3 of 3

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