Molecule

Oxepinamide K

AlkaPlorer ID: AK120067

Synonym: None

IUPAC Name: (4Z,7R)-4-benzylidene-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione

SMILES: C[C@@H]1C(O)=N/C(=C\C2=CC=CC=C2)C2=NC3=C(C=CC=CO3)C(=O)N21

InChI: InChI=1S/C19H15N3O3/c1-12-17(23)20-15(11-13-7-3-2-4-8-13)16-21-18-14(19(24)22(12)16)9-5-6-10-25-18/h2-12H,1H3,(H,20,23)/b15-11-/t12-/m1/s1

InChIKey: CJYUEDLQBHFMDJ-QJMZJAKPSA-N

PubChem CID: 145720952

LOTUS: LTS0155901

NPASS: NPC487972

{

NPAtlas: NPA025183

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus puniceus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 333.3470000000001

TPSA？: 76.71000000000001

MolLogP？: 3.191800000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Colletotrichum gloeosporioides	Colletotrichum gloeosporioides	GI	50.0	%	10.1021/acs.jnatprod.9b00055
Curvularia australiensis	Curvularia australiensis	GI	50.0	%	10.1021/acs.jnatprod.9b00055
Fusarium oxysporum	Fusarium oxysporum	GI	50.0	%	10.1021/acs.jnatprod.9b00055
Homo sapiens	Indoleamine 2,3-dioxygenase	Inhibition	nan	%	10.1021/acs.jnatprod.9b00055
Homo sapiens	L-lactate dehydrogenase A chain	Inhibition	nan	%	10.1021/acs.jnatprod.9b00055
Homo sapiens	LXR-alpha	EC50	50000.0	nM	10.1021/acs.jnatprod.9b00055
Homo sapiens	LXR-alpha	FC	3.0	None	10.1021/acs.jnatprod.9b00055
Homo sapiens	Protein-tyrosine phosphatase 1B	Inhibition	nan	%	10.1021/acs.jnatprod.9b00055
Homo sapiens	Protein-tyrosine phosphatase 1C	Inhibition	nan	%	10.1021/acs.jnatprod.9b00055
Homo sapiens	Protein-tyrosine phosphatase 2C	Inhibition	nan	%	10.1021/acs.jnatprod.9b00055
Homo sapiens	T-cell protein-tyrosine phosphatase	Inhibition	nan	%	10.1021/acs.jnatprod.9b00055
Homo sapiens	Tyrosine-protein phosphatase non-receptor type 9	Inhibition	nan	%	10.1021/acs.jnatprod.9b00055
Pyricularia oryzae	Pyricularia oryzae	GI	50.0	%	10.1021/acs.jnatprod.9b00055