Molecule

(1E)-4-ethyl-11,15-dihydroxy-12-methoxy-5-methyl-13-oxa-4-azatricyclo[10.2.1.0²,?]pentadec-1-en-3-one

AlkaPlorer ID: AK125109

Synonym: None

IUPAC Name: (1E,5R,11S,12S,15S)-4-ethyl-11,15-dihydroxy-12-methoxy-5-methyl-13-oxa-4-azatricyclo[10.2.1.02,5]pentadec-1-en-3-one

Structure

SMILES: CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCCCC[C@]21C)[C@H]3O

InChI: InChI=1S/C17H27NO5/c1-4-18-15(21)13-11-10-23-17(22-3,14(11)20)12(19)8-6-5-7-9-16(13,18)2/h12,14,19-20H,4-10H2,1-3H3/b13-11-/t12-,14-,16+,17-/m0/s1

InChIKey: SJSPSHPVPXPTPG-WCYNIRFRSA-N

Reference

Phyllostictines A–D, oxazatricycloalkenones produced by Phyllosticta cirsii, a potential mycoherbicide for Cirsium arvense biocontrol

PubChem CID: 24813209

LOTUS: LTS0063710

NPASS: NPC66306

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Blumea densiflora	Blumea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euonymus grandiflorus	Euonymus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hymenocallis arenicola	Hymenocallis	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces cyaneofuscatus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Wardomyces inflatus	Wardomyces	Microascaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Cratoxylum formosum	Cratoxylum	Hypericaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cirsium arvense	Cirsium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 325.40500000000003

TPSA？: 79.23

MolLogP？: 0.962599999999999

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Artemia salina	Artemia salina	Activity	nan	None	10.1016/j.tet.2007.12.010
Artemia salina	Artemia salina	mortality	24.0	%	10.1016/j.tet.2007.12.010
Cirsium arvense	Cirsium arvense	Activity	nan	None	10.1016/j.tet.2007.12.010
Escherichia coli	Escherichia coli	Activity	nan	None	10.1016/j.tet.2007.12.010
Geotrichum candidum	Geotrichum candidum	Activity	nan	None	10.1016/j.tet.2007.12.010
Lactobacillus sp.	Lactobacillus sp.	Activity	nan	None	10.1016/j.tet.2007.12.010