Molecule

3-imino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1?,¹¹.0¹,?]tetradecane-5,9,12,13-tetrol

AlkaPlorer ID: AK048780

Synonym: None

IUPAC Name: (1R,5R,6R,7S,9S,11R,12S,13S,14R)-3-amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13-tetrol

Structure

SMILES: C[C@H]1[C@H]2O[C@@]3(O)O[C@@H]1[C@@H]1[C@@H](O)NC(=N)N[C@]1([C@@H]2O)[C@@H]3O

InChI: InChI=1S/C11H17N3O6/c1-2-4-3-7(16)13-9(12)14-10(3)6(15)5(2)20-11(18,19-4)8(10)17/h2-8,15-18H,1H3,(H3,12,13,14)/t2-,3-,4+,5-,6-,7-,8+,10-,11+/m1/s1

InChIKey: RMAHGNDIHNOZMD-LJQSUJOQSA-N

Reference

PubChem CID: 90669996

NPASS: NPC139857

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tadehagi triquetrum	Tadehagi	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Androstachys johnsonii	Androstachys	Picrodendraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cestrum euanthes	Cestrum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neopicrorhiza scrophulariiflora	Neopicrorhiza	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Plagiorhegma dubium	Plagiorhegma	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces cyanogenus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Alternaria eichhorniae	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 287.27200000000005

TPSA？: 147.29000000000002

MolLogP？: -3.3974299999999986

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	EC50	400.0	nM	10.1021/np401097n
None	Unchecked	Inhibition	nan	%	10.1021/np401097n