Molecule

Deinococcucin D

AlkaPlorer ID: AK110504

Synonym: None

IUPAC Name: (2R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[(Z)-heptadec-9-enyl]-2-hydroxypropanamide

Structure

SMILES: CCCCCCC/C=C\CCCCCCCCN=C(O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N=C(C)O

InChI: InChI=1S/C28H52N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-27(36)22(33)20-37-28-24(30-21(2)32)26(35)25(34)23(19-31)38-28/h9-10,22-26,28,31,33-35H,3-8,11-20H2,1-2H3,(H,29,36)(H,30,32)/b10-9-/t22-,23-,24-,25-,26-,28+/m1/s1

InChIKey: ZDCYNELOZAGMDN-ZLMYTBRYSA-N

Reference

Deinococcucins A–D, Aminoglycolipids from <i>Deinococcus</i> sp., a Gut Bacterium of the Carpenter Ant <i>Camponotus japonicus</i>

PubChem CID: 139589837

LOTUS: LTS0210326

NPASS: NPC481810

{

NPAtlas: NPA022493

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Deinococcus sp.	Deinococcus	Deinococcaceae	Deinococcales	Deinococci	Deinococcota	None	Bacteria

Properties Information

Molecule Weight: 544.7300000000001

TPSA？: 164.56000000000003

MolLogP？: 3.751800000000002

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus fumigatus	Aspergillus fumigatus	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426
Bacillus subtilis	Bacillus subtilis	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426
Candida albicans	Candida albicans	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426
Escherichia coli	Escherichia coli	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426
Homo sapiens	A549	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00426
Homo sapiens	HCT-116	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00426
Homo sapiens	K562	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00426
Homo sapiens	MDA-MB-231	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00426
Homo sapiens	SK-HEP1	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00426
Homo sapiens	SNU-638	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00426
Kocuria rhizophila	Kocuria rhizophila	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426
Mus musculus	Quinone oxidoreductase	Activity	nan	None	10.1021/acs.jnatprod.7b00426
Proteus hauseri	Proteus hauseri	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426
Salmonella enterica	Salmonella enterica	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426
Staphylococcus aureus	Staphylococcus aureus	MIC	128000.0	nM	10.1021/acs.jnatprod.7b00426