Erucifoline
AlkaPlorer ID: AK000200
Synonym: None
IUPAC Name: (5R,9Z,12R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
Structure
SMILES: C/C=C\1/CC2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO
InChI: InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18?/m1/s1
InChIKey: NOQVBHHOUTTZGE-AJDQYRSESA-N
Source
Properties Information
Molecule Weight: 349.38300000000015
TPSA？: 88.60000000000001
MolLogP？: 0.32569999999999993
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
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