BIAdb: A Database for Benzylisoquinoline Alkaloids

Record No. 1 of 2

ID	1982
Name	Daphnandrine
Pubchem ID	442214
KEGG ID	C09415
Source	Anisocycla cymosa
Type	Natural
Function	Antiprotozoal
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	5.9
Topological Polar Surface Area	81.7
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC
Drugpedia	wiki
References	1. Kanyinda,J.Nat.Prod.,56,(1993),618 2. Kanyinda,J.Nat.Prod.,56,(1993),957 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 2 of 2

ID	3443
Name	Trilobine
Pubchem ID	169007
KEGG ID	C09669
Source	Anisocycla cymosa
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	562.65
Exact mass	562.246772
Molecular formula	C₃₅H₃₄N₂O₅
XlogP	5.9
Topological Polar Surface Area	61.4
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Drugpedia	wiki
References	1. Kanyinda,Planta Med.,55,(1989),394 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records