Molecule

(2E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

AlkaPlorer ID: AK319474

Synonym: None

IUPAC Name: (E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

SMILES: COC1=CC(/C=C/C(O)=NCCCCN)=CC=C1O

InChI: InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+

InChIKey: SFUVCMKSYKHYLD-FNORWQNLSA-N

PubChem CID: 5281796

CAS: 501-13-3

LOTUS: LTS0118212

SuperNatural Ⅲ: SN0344333-02

NPASS: NPC255221

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ananas comosus	Ananas	Bromeliaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gomphrena globosa	Gomphrena	Amaranthaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zea mays	Zea	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Citrus x paradisi	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salix sp.	Salix	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 264.32499999999993

TPSA？: 88.07000000000001

MolLogP？: 2.1094000000000004

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT011484	COc1cc(/C=C/C(=O)[32S])ccc1O.NCCCCN>>COc1cc(/C=C/C(=O)NCCCCN)ccc1O	None
AKRT011506	COc1cc(/C=C/C(=O)[CoA])ccc1O.NCCCCN>>COc1cc(/C=C/C(=O)NCCCCN)ccc1O	R09257