Molecule

(2R,3S)-2-aminododecan-3-ol

AlkaPlorer ID: AK066119

Synonym: None

IUPAC Name: (2S,3R)-2-aminododecan-3-ol

SMILES: CCCCCCCCC[C@@H](O)[C@H](C)N

InChI: InChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-12,14H,3-10,13H2,1-2H3/t11-,12+/m0/s1

InChIKey: AGYWAEBSOUKZJQ-NWDGAFQWSA-N

PubChem CID: 5273358

LOTUS: LTS0100522

NPASS: NPC96966

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Clavelina oblonga	Clavelina	Clavelinidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Molecule Weight: 201.354

TPSA？: 46.25

MolLogP？: 2.8352000000000004

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
[Candida] aaseri	[Candida] aaseri	MIC	9.9	ug.mL-1	10.1016/j.bmcl.2012.05.082
Candida albicans	Candida albicans	MIC	0.7	ug.mL-1	10.1016/j.bmcl.2012.05.082
Candida albicans	Candida albicans	MIC	0.7	ug.mL-1	10.1021/np049782q
Candida albicans	Candida albicans	MIC	9.9	ug.mL-1	10.1016/j.bmcl.2012.05.082
Candida albicans	Candida albicans	MIC	19.8	ug.mL-1	10.1016/j.bmcl.2012.05.082
Candida albicans	Candida albicans	MIC	37.5	ug.mL-1	10.1016/j.bmcl.2012.05.082
Candida parapsilosis	Candida parapsilosis	MIC	4.9	ug.mL-1	10.1016/j.bmcl.2012.05.082
Homo sapiens	HeLa	GI50	9200.0	nM	10.1016/j.ejmech.2015.03.046
Homo sapiens	SW1573	GI50	9500.0	nM	10.1016/j.ejmech.2015.03.046
Homo sapiens	T47D	GI50	12000.0	nM	10.1016/j.ejmech.2015.03.046
Homo sapiens	WiDr	GI50	17000.0	nM	10.1016/j.ejmech.2015.03.046
Nakaseomyces glabratus	Nakaseomyces glabratus	MIC	9.9	ug.mL-1	10.1016/j.bmcl.2012.05.082
Nakaseomyces glabratus	Nakaseomyces glabratus	MIC	30.0	ug.mL-1	10.1016/j.bmcl.2012.05.082
Nakaseomyces glabratus	Nakaseomyces glabratus	MIC	30.0	ug.mL-1	10.1021/np049782q
None	NON-PROTEIN TARGET	Activity	nan	None	10.1016/j.ejmech.2011.09.010
None	NON-PROTEIN TARGET	GI	80.0	%	10.1016/j.ejmech.2011.09.010
None	NON-PROTEIN TARGET	GI50	6600.0	nM	10.1016/j.ejmech.2015.03.046
None	NON-PROTEIN TARGET	IC50	7960.0	nM	10.1016/j.ejmech.2011.09.010