BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	2111
Name	Erysotrine
Pubchem ID	442219
KEGG ID	C09423
Source	Erythrina steyermarkii
Type	Natural
Function	Neuromuscular blocking agent
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	2.1
Topological Polar Surface Area	30.9
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILE	CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpedia	wiki
References	1. Hargreaves,Lloydia,37,(1974),569 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 2 of 2

ID	2141
Name	Erythratidine
Pubchem ID	442220
KEGG ID	C09424
Source	Erythrina steyermarkii
Type	Natural
Function	Neuromuscular blocking agent
Drug Like Properties	Yes
Molecular Weight	331.41
Exact mass	331.178358
Molecular formula	C₁₉H₂₅NO₄
XlogP	1.2
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Isomeric SMILE	CO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC
Drugpedia	wiki
References	1. Hargreaves,Lloydia,37,(1974),569 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records