Molecule

Hexadecanoic acid; Benzylamide

AlkaPlorer ID: AK024725

Synonym: N-Benzylhexadecanamide, Macamide B

IUPAC Name: N-benzylhexadecanamide

SMILES: CCCCCCCCCCCCCCCC(O)=NCC1=CC=CC=C1

InChI: InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)

InChIKey: MLGPKWUKOQAAGI-UHFFFAOYSA-N

PubChem CID: 11198769

CAS: 74058-71-2

LOTUS: LTS0178694

SuperNatural Ⅲ: SN0228652

NPASS: NPC141139

COCONUT: CNP0231221

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lepidium meyenii	Lepidium	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 345.571

TPSA？: 32.59

MolLogP？: 7.624400000000008

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	786-0	TGI	250.0	ug.mL-1	10.1016/j.bmc.2014.11.019
Homo sapiens	Anandamide amidohydrolase	IC50	500000.0	nM	10.1016/j.bmc.2013.06.034
Homo sapiens	Anandamide amidohydrolase	Inhibition	24.8	%	10.1016/j.bmc.2013.06.034
Homo sapiens	Anandamide amidohydrolase	Inhibition	43.8	%	10.1016/j.bmc.2013.06.034
Homo sapiens	Epoxide hydratase	IC50	524.0	nM	10.1021/acs.jnatprod.0c00938
Homo sapiens	HaCaT	TGI	250.0	ug.mL-1	10.1016/j.bmc.2014.11.019
Homo sapiens	MCF7	TGI	250.0	ug.mL-1	10.1016/j.bmc.2014.11.019
Homo sapiens	NCI/ADR-RES	TGI	250.0	ug.mL-1	10.1016/j.bmc.2014.11.019
Homo sapiens	NCI-H460	TGI	250.0	ug.mL-1	10.1016/j.bmc.2014.11.019
Homo sapiens	THP-1	CC50	100000.0	nM	10.1039/d0md00208a
Homo sapiens	THP-1	IC50	43100.0	nM	10.1039/d0md00208a
Homo sapiens	U-251	TGI	250.0	ug.mL-1	10.1016/j.bmc.2014.11.019
Mus musculus	Epoxide hydratase	IC50	422.0	nM	10.1021/acs.jnatprod.0c00938
Rattus norvegicus	Epoxide hydrolase 2	IC50	370.0	nM	10.1021/acs.jnatprod.0c00938
None	NON-PROTEIN TARGET	TGI	250.0	ug.mL-1	10.1016/j.bmc.2014.11.019