Record No. 1 of 1

ID1089
NameActinodaphine
Pubchem ID160502
KEGG IDC09322
SourceThalictrum acutifolium
TypeNatural
FunctionAntimicrobial
Drug Like PropertiesYes
Molecular Weight311.33
Exact mass311.115758
Molecular formulaC18H17NO4
XlogP2.4
Topological Polar Surface Area60
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILECOC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpediawiki
References1. Lin,Goadeng Xuexiao Huaxue Xuebao,21,(2000),1820
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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