2-[[1-(8-Benzoyl-9-hydroxy-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-2-yl)-1-hydroxyhex-3-en-2-yl]amino]benzamide
AlkaPlorer ID: AK443687
Synonym: None
IUPAC Name: 2-[[1-(8-benzoyl-9-hydroxy-8-methoxy-3-methyl-4,6-dioxo-1-oxa-7-azaspiro[4.4]non-2-en-2-yl)-1-hydroxyhex-3-en-2-yl]amino]benzamide
Structure
SMILES: CCC=CC(NC1=CC=CC=C1C(N)=O)C(O)C1=C(C)C(=O)C2(O1)C(=O)NC(OC)(C(=O)C1=CC=CC=C1)C2O
InChI: InChI=1S/C29H31N3O8/c1-4-5-14-20(31-19-15-10-9-13-18(19)25(30)36)21(33)22-16(2)23(34)28(40-22)26(37)29(39-3,32-27(28)38)24(35)17-11-7-6-8-12-17/h5-15,20-21,26,31,33,37H,4H2,1-3H3,(H2,30,36)(H,32,38)
InChIKey: LHADJQFMWXAVMZ-UHFFFAOYSA-N
Reference
Structural revision of a putative cyanogenic glucoside from Ilex aquifolium
PubChem CID: 163110764
COCONUT: CNP0431078.1
Source
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Properties Information
Molecule Weight: 549.5800000000004
TPSA？: 177.27999999999997
MolLogP？: 1.2215
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 4
Activities Information
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