BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	2803
Name	Norlaureline
Pubchem ID	191752
KEGG ID	N/A
Source	Guatteria elata
Type	Natural
Function	Unknown
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC2=C(CC3C4=C2C5=C(C=C4CCN3)OCO5)C=C1
Isomeric SMILE	COC1=CC2=C(C[C@@H]3C4=C2C5=C(C=C4CCN3)OCO5)C=C1
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 2

ID	3038
Name	Puterine
Pubchem ID	191751
KEGG ID	N/A
Source	Guatteria elata
Type	Natural
Function	Unknown
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=CC=CC2=C1C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC=CC2=C1C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Source 2. Function 3. All Records