Molecule

4-(2-Aminoethyl)phenol; N-Cinnamoyl

AlkaPlorer ID: AK285424

Synonym: N-Cinnamoyltyramine, N-[2-(4-Hydroxyphenyl)ethyl]cinnamide

IUPAC Name: (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide

SMILES: OC(/C=C/C1=CC=CC=C1)=NCCC1=CC=C(O)C=C1

InChI: InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+

InChIKey: KGOYCHSKGXJDND-DHZHZOJOSA-N

PubChem CID: 5315911

CAS: 103188-44-9

LOTUS: LTS0265948

SuperNatural Ⅲ: SN0185080-01

NPASS: NPC96224

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aristolochia mollissima	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Paeonia veitchii	Paeonia	Paeoniaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Casearia lucida	Casearia	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Teucrium lucidum	Teucrium	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhamnus procumbens	Rhamnus	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 267.328

TPSA？: 52.82000000000001

MolLogP？: 3.604600000000002

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2a	IC50	100000.0	nM	10.1021/jm990199u
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2b	IC50	680.0	nM	10.1021/jm990199u
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2c	IC50	100000.0	nM	10.1021/jm990199u
None	Unchecked	IC50	680.0	nM	10.1016/s0960-894x(97)10215-3
None	Unchecked	IC50	215250.0	nM	10.1016/j.ejmech.2016.02.044
None	Unchecked	IC50	300000.0	nM	10.1016/s0960-894x(97)10215-3
None	Unchecked	Ki	nan	None	10.1016/j.ejmech.2016.02.044

AKRT ID	Reaction	Reaction Link ID
AKRT018408	NCCc1ccc(O)cc1.O=C([32S])/C=C/c1ccccc1>>O=C(/C=C/c1ccccc1)NCCc1ccc(O)cc1	None
AKRT018410	NCCc1ccc(O)cc1.O=C([CoA])/C=C/c1ccccc1>>O=C(/C=C/c1ccccc1)NCCc1ccc(O)cc1	RXN-8713
AKRT023438	O=C([CoA])/C=C/c1ccccc1.NCCc1ccc(O)cc1>>O=C(/C=C/c1ccccc1)NCCc1ccc(O)cc1	enzymemap_28458