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2-Aminoethanol; N-Octadecanoyl 

AlkaPlorer ID: AK010262

Synonym: N-(2-Hydroxyethyl)octadecanamide, N-Stearoylethanolamine, 2-Stearamidoethanol 

IUPAC Name: N-(2-hydroxyethyl)octadecanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCO

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InChI: InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)

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InChIKey: OTGQIQQTPXJQRG-UHFFFAOYSA-N

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Reference

PubChem CID: 27902

CAS: 111-57-9

NPASS: NPC319709

COCONUT: CNP0346699

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 327.553

TPSA？: 49.33

MolLogP？: 5.356400000000005

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Brassica napus Brassica napus Activity 35.3 % 10.1016/j.bmcl.2007.03.013
Cucumis sativus Cucumis sativus Activity 6.2 % 10.1016/j.bmcl.2007.03.013
Homo sapiens 786-0 TGI 250.0 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens HaCaT LC50 117.7 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens HaCaT TGI 250.0 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens MCF7 GI50 129.5 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 GI50 157.7 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 Peroxisome proliferator-activated receptor alpha Activity nan None 10.1016/j.bmcl.2015.05.045
Homo sapiens Peroxisome proliferator-activated receptor gamma Activity nan None 10.1016/j.bmcl.2015.05.045
Homo sapiens U-251 GI50 116.9 ug.mL-1 10.1016/j.bmc.2014.11.019
Homo sapiens U-251 TGI 250.0 ug.mL-1 10.1016/j.bmc.2014.11.019
Mus musculus Mus musculus Activity nan None 10.1007/s00044-010-9357-7
Mus musculus Mus musculus Inhibition 5.65 % 10.1007/s00044-010-9357-7
Mus musculus Transient receptor potential cation channel subfamily V member 1 Activity nan None 10.1021/jm300484d
Rattus norvegicus Anandamide amidohydrolase Rate of hydrolysis 0.2 nM min-1 mg-1 10.1021/jm980461j
Rattus norvegicus Anandamide amidohydrolase Relative rate of hydrolysis 15.0 % 10.1021/jm980461j
Rattus norvegicus Cannabinoid CB1 receptor Ki 217.0 nM 10.1021/jm980461j
Rattus norvegicus Transient receptor potential cation channel subfamily V member 2 IC50 10000.0 nM 10.1021/acs.jmedchem.8b00734
Triticum aestivum Triticum aestivum Activity 2.1 % 10.1016/j.bmcl.2007.03.013
None NON-PROTEIN TARGET GI50 75.6 ug.mL-1 10.1016/j.bmc.2014.11.019
None NON-PROTEIN TARGET GI50 157.7 ug.mL-1 10.1016/j.bmc.2014.11.019
None NON-PROTEIN TARGET TGI 250.0 ug.mL-1 10.1016/j.bmc.2014.11.019
None No relevant target Solubility 0.03 g 10.1016/j.bmcl.2007.03.013
None No relevant target Solubility 0.16 g 10.1016/j.bmcl.2007.03.013
None No relevant target Solubility 0.34 g 10.1016/j.bmcl.2007.03.013

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000342 *C(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O>>CCCCCCCCCCCCCCCCCC(=O)NCCO RXN-20515
AKRT008260 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCCCCCCCCCCCCCCC(=O)NCCO 45536
AKRT009084 CCCCCCCCCCCCCCCCCC(=O)NCCO>>CCCCCCCCCCCCCCCCCC(=O)O 63124
AKRT009085 CCCCCCCCCCCCCCCCCC(=O)NCCO>>NCCO 63124