BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	1990
Name	Dauricine
Pubchem ID	73400
KEGG ID	C09419
Source	Menispermum canadense
Type	Natural
Function	Anaesthetic
Drug Like Properties	No
Molecular Weight	624.77
Exact mass	624.319937
Molecular formula	C₃₈H₄₄N₂O₆
XlogP	6.7
Topological Polar Surface Area	72.9
H-Bond Donor	1
H-Bond Acceptor	8
Rotational Bond Count	10
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)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 2

ID	1992
Name	Dauricine
Pubchem ID	73400
KEGG ID	C09419
Source	Menispermum canadense
Type	Natural
Function	Neuroprotective effect
Drug Like Properties	No
Molecular Weight	624.77
Exact mass	624.319937
Molecular formula	C₃₈H₄₄N₂O₆
XlogP	6.7
Topological Polar Surface Area	72.9
H-Bond Donor	1
H-Bond Acceptor	8
Rotational Bond Count	10
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records