Molecule

(Z,2E,4E)-7-(3,4-dimethoxyphenyl)-N-ethyl-6-hydroxyhepta-2,4-dienimidic acid

AlkaPlorer ID: AK070852

Synonym: None

IUPAC Name: (2E,4E,6R)-7-(3,4-dimethoxyphenyl)-N-ethyl-6-hydroxyhepta-2,4-dienamide

Structure

SMILES: CCN=C(O)/C=C/C=C/[C@H](O)CC1=CC=C(OC)C(OC)=C1

InChI: InChI=1S/C17H23NO4/c1-4-18-17(20)8-6-5-7-14(19)11-13-9-10-15(21-2)16(12-13)22-3/h5-10,12,14,19H,4,11H2,1-3H3,(H,18,20)/b7-5+,8-6+/t14-/m0/s1

InChIKey: XAJXBWHLLVMCFS-OBUCXMDBSA-N

Reference

PubChem CID: 72196849

NPASS: NPC101908

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alpinia pricei	Alpinia	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ficus septica	Ficus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nalanthamala diospyri	Nalanthamala	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Beilschmiedia kunstleri	Beilschmiedia	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lippia graveolens	Lippia	Verbenaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ferulago sylvatica	Ferulago	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crinum stuhlmannii	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Metrodorea flavida	Metrodorea	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gordonia terrae	Gordonia	Gordoniaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria
Seiridium cardinale	Seiridium	Sporocadaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Metadina trichotoma	Metadina	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Palaquium leiocarpum	Palaquium	Sapotaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Curcuma wenyujin	Curcuma	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Paeonia officinalis	Paeonia	Paeoniaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 305.374

TPSA？: 71.28000000000002

MolLogP？: 2.6960000000000006

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	13830.0	nM	10.1039/C6MD00606J
Homo sapiens	HeLa	IC50	14580.0	nM	10.1039/C6MD00606J
Homo sapiens	IMR-32	IC50	9430.0	nM	10.1039/C6MD00606J
Homo sapiens	MCF7	IC50	12870.0	nM	10.1039/C6MD00606J