Record No. 1 of 1

ID1657
Name(-)-Caaverine
Pubchem ID23335
KEGG IDC09368
SourceSymplocos celastrinea
TypeNatural
FunctionToxic
Drug Like PropertiesYes
Molecular Weight267.32
Exact mass267.125929
Molecular formulaC17H17NO2
XlogP2.6
Topological Polar Surface Area41.5
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)O
Isomeric SMILECOC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)O
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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