Molecule

BE-14106

AlkaPlorer ID: AK319989

Synonym: None

IUPAC Name: (3E,5E,7E,11Z,13E,15E,17E)-20-[(E)-hex-2-enyl]-9,10-dihydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

Structure

SMILES: CCC/C=C/CC1C/C=C/C=C(C)/C=C/C=C\C(O)C(O)/C=C(C)/C=C/C=C/C(=O)N1

InChI: InChI=1S/C27H37NO3/c1-4-5-6-7-17-24-18-11-8-14-22(2)15-9-12-19-25(29)26(30)21-23(3)16-10-13-20-27(31)28-24/h6-16,19-21,24-26,29-30H,4-5,17-18H2,1-3H3,(H,28,31)/b7-6+,11-8+,15-9+,16-10+,19-12-,20-13+,22-14+,23-21+

InChIKey: ALYLZDHKQZUVDF-GWNVROLUSA-N

Reference

A unique macrolactam derivative via a [4+6]-cycloaddition from Streptomyces niveus

PubChem CID: 10387608

LOTUS: LTS0077475

NPASS: NPC315141

{

NPAtlas: NPA017806

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp.	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 423.59700000000015

TPSA？: 69.56

MolLogP？: 5.0167000000000055

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus niger	Aspergillus niger	Activity	nan	None	10.1016/j.bmcl.2016.02.002
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1016/j.bmcl.2016.02.002
Candida albicans	Candida albicans	Activity	nan	None	10.1016/j.bmcl.2016.02.002
Escherichia coli	Escherichia coli	Activity	nan	None	10.1016/j.bmcl.2016.02.002
Homo sapiens	HepG2	IC50	100000.0	nM	10.1016/j.bmcl.2016.02.002
Mus musculus	BALB/3T3	IC50	1700.0	nM	10.1016/j.bmcl.2016.02.002
Mus musculus	P388/S	IC50	1650.0	nM	10.1016/j.bmcl.2016.02.002
Mus musculus	P388/VCR	IC50	1890.0	nM	10.1016/j.bmcl.2016.02.002
Rattus norvegicus	NRK	IC50	7000.0	nM	10.1016/j.bmcl.2016.02.002
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1016/j.bmcl.2016.02.002
None	ADMET	IC50	100000.0	nM	10.1016/j.bmcl.2016.02.002
None	Molecular identity unknown	MIC	500.0	nM	10.1021/acs.jnatprod.6b00250
None	NON-PROTEIN TARGET	Activity	nan	None	10.1021/acs.jnatprod.6b00250
None	NON-PROTEIN TARGET	IC50	4500.0	nM	10.1016/j.bmcl.2016.02.002
None	NON-PROTEIN TARGET	IC50	100000.0	nM	10.1016/j.bmcl.2016.02.002