BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	1094
Name	Aknadicine
Pubchem ID	442156
KEGG ID	C09325
Source	Stephania hernandifolia
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	345.39
Exact mass	345.157623
Molecular formula	C₁₉H₂₃NO₅
XlogP	1.3
Topological Polar Surface Area	77
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CCC34C2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O
Isomeric SMILE	COC1=C(C2=C(CC[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)C=C1)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 2

ID	2269
Name	Hernandezine
Pubchem ID	72343
KEGG ID	C09461
Source	Stephania hernandifolia
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)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