Molecule

2,4,8,10,12-Tetradecapentaenoic acid; (all-E)-form, 2-Hydroxy-2-methylpropylamide

AlkaPlorer ID: AK315202

Synonym: Hydroxy-γ-isosanshool, N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide

IUPAC Name: (2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

Structure

SMILES: C/C=C/C=C/C=C/CC/C=C/C=C/C(O)=NCC(C)(C)O

InChI: InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+

InChIKey: CRPPMKFSMRODIQ-FMBIJHKPSA-N

Reference

Amides of the fruit of Zanthoxylum spp.

PubChem CID: 14135316

CAS: 127514-62-9

LOTUS: LTS0198426

SuperNatural Ⅲ: SN0053726-01

NPASS: NPC269800

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lactobacillus delbrueckii	Lactobacillus	Lactobacillaceae	Lactobacillales	Bacilli	Bacillota	None	Bacteria
Kielmeyera coriacea	Kielmeyera	Calophyllaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ulmus americana	Ulmus	Ulmaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Wedelia prostrata	Wedelia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salvia munzii	Salvia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Metapenaeus bennettae	Metapenaeus	Penaeidae	Decapoda	Malacostraca	Arthropoda	Metazoa	Eukaryota
Coprinellus flocculosus	Coprinellus	Psathyrellaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Alexandrium hiranoi	Alexandrium	Pyrocystaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota
Rhytidoponera metallica	Rhytidoponera	Formicidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Jacobaea vulgaris	Jacobaea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lithospermum officinale	Lithospermum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zanthoxylum piperitum	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aplysia punctata	Aplysia	Aplysiidae	Aplysiida	Gastropoda	Mollusca	Metazoa	Eukaryota
Leishmania major	Leishmania	Trypanosomatidae	Trypanosomatida	Kinetoplastea	Euglenozoa	None	Eukaryota
Bellium bellidioides	Bellium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angelica taiwaniana	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Wikstroemia chamaedaphne	Wikstroemia	Thymelaeaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Echinosophora koreensis	Echinosophora	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cynara humilis	Cynara	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Garcinia intermedia	Garcinia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Centaurea calcitrapa	Centaurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Xanthoria aureola	Xanthoria	Teloschistaceae	Teloschistales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Elegia deusta	Elegia	Restionaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Didymium bahiense	Didymium	Didymiaceae	Physariida	Eumycetozoa	Evosea	None	Eukaryota
Litsea glutinosa	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erica glauca	Erica	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Reaumuria hirtella	Reaumuria	Tamaricaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Platonia insignis	Platonia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 289.41900000000004

TPSA？: 52.82000000000001

MolLogP？: 4.294900000000004

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Cannabinoid CB1 receptor	IC50	1392.0	nM	10.1021/np400478c
Homo sapiens	Cannabinoid CB1 receptor	Inhibition	39.0	%	10.1021/np400478c
Homo sapiens	Cannabinoid CB2 receptor	IC50	224.0	nM	10.1021/np400478c
Homo sapiens	Cannabinoid CB2 receptor	Inhibition	34.0	%	10.1021/np400478c
None	Unchecked	Ratio IC50	6.2	None	10.1021/np400478c