Molecule

(4-Aminobutyl)guanidine; N1-(4-Hydroxy-3-methoxy-E-cinnamoyl)

AlkaPlorer ID: AK284494

Synonym: N1-trans-Feruloylagmatine

IUPAC Name: (E)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

SMILES: COC1=CC(/C=C/C(O)=NCCCCNC(=N)N)=CC=C1O

InChI: InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+

InChIKey: UBMDAKWARMURDL-FNORWQNLSA-N

PubChem CID: 46173376

CAS: 188305-06-8

LOTUS: LTS0025953

SuperNatural Ⅲ: SN0365912-01

NPASS: NPC185858

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hordeum vulgare	Hordeum	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Triticum aestivum	Triticum	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis saxicola	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arabidopsis thaliana	Arabidopsis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 306.366

TPSA？: 123.95

MolLogP？: 1.6337699999999995

Number of H-Donors: 5

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT011483	COc1cc(/C=C/C(=O)[32S])ccc1O.N=C(N)NCCCCN>>COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O	None
AKRT011504	COc1cc(/C=C/C(=O)[CoA])ccc1O.N=C(N)NCCCCN>>COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O	R09255