BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2301
NameIrcodin
Pubchem ID5745972
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight1089.33
Exact mass1088.573526
Molecular formulaC63H76N8O9
XlogPN/A
Topological Polar Surface Area185
H-Bond Donor3
H-Bond Acceptor12
Rotational Bond Count10
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILECCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
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