BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	2033
Name	Dihydrosanguinarine
Pubchem ID	124069
KEGG ID	C05191
Source	Eschscholzia californica
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	333.34
Exact mass	333.100108
Molecular formula	C₂₀H₁₅NO₄
XlogP	4.1
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Isomeric SMILE	N/A
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	2146
Name	Eschscholtzidine
Pubchem ID	442222
KEGG ID	C09426
Source	Eschscholzia californica
Type	Natural
Function	Antibacterial
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.1
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	CN1C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4
Isomeric SMILE	CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records