Molecule

N-Cinnamoylputrescine; (Z)-form, N'-Benzoyl

AlkaPlorer ID: AK292534

Synonym: N-Benzoyl-N-cis-cinnamoylputrescine, cis-Pyramidatine, Aglaiamide A

IUPAC Name: N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide

Structure

SMILES: OC(/C=C/C1=CC=CC=C1)=NCCCCN=C(O)C1=CC=CC=C1

InChI: InChI=1S/C20H22N2O2/c23-19(14-13-17-9-3-1-4-10-17)21-15-7-8-16-22-20(24)18-11-5-2-6-12-18/h1-6,9-14H,7-8,15-16H2,(H,21,23)(H,22,24)/b14-13+

InChIKey: XYVZRTYPQHUZGY-BUHFOSPRSA-N

Reference

Constituents of the leaves and stem bark of Aglaia foveolata

PubChem CID: 1755965

CAS: 2170726-16-4

LOTUS: LTS0205481

SuperNatural Ⅲ: SN0443743-01

NPASS: NPC33168

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artemisia nova	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lejeunea flava	Lejeunea	Lejeuneaceae	Porellales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota
Silphium asteriscus	Silphium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Aglaia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aglaia perviridis	Aglaia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypoxylon haematostroma	Hypoxylon	Hypoxylaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 322.408

TPSA？: 65.18

MolLogP？: 4.441300000000004

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A-431	ED50	20.0	ug ml-1	10.1021/np50094a004
Homo sapiens	HT-1080	ED50	20.0	ug ml-1	10.1021/np50094a004
Homo sapiens	KB	ED50	20.0	ug ml-1	10.1021/np50094a004
Homo sapiens	LNCaP	ED50	20.0	ug ml-1	10.1021/np50094a004
Homo sapiens	SK-MEL-2	ED50	20.0	ug ml-1	10.1021/np50094a004
Homo sapiens	ZR-75-1	ED50	20.0	ug ml-1	10.1021/np50094a004
None	NON-PROTEIN TARGET	ED50	20.0	ug ml-1	10.1021/np50094a004
None	Unchecked	Inhibition	nan	%	10.1016/j.bmcl.2012.04.081