1'-Oxoelemicin-Putrescine

1'-Oxoelemicin-putrescine is a completely theoretical adduct of 1'-oxoelemicin and the endogenous polyamine putrescine. Because of its very low lipid solubility it is unlikely to produce psychoactivity.
Chemical Properties
Molecular Weight: 310.44 [g/mol]
Molecular Formula: C16H26N2O4,
XLogP3: 0.80 [1]
Canonical SMILES: C(CCNCCC(C1=CC(=C(C(=C1)OC)OC)OC)=O)CN
Bibliography
1. Value calculated using Virtual Computational Chemistry Laboratory's online ALOGPS 2.1 program
page revision: 7, last edited: 08 Mar 2013 09:38