Synephrine; (±)-form, N-(4-Hydroxy-3-methoxy-E-cinnamoyl) 

AlkaPlorer ID: AK314784

Synonym: N-trans-Feruloylsynephrine, Micrometam D 

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

Structure

SMILES: COC1=CC(/C=C/C(=O)N(C)CC(O)C2=CC=C(O)C=C2)=CC=C1O

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InChI: InChI=1S/C19H21NO5/c1-20(12-17(23)14-5-7-15(21)8-6-14)19(24)10-4-13-3-9-16(22)18(11-13)25-2/h3-11,17,21-23H,12H2,1-2H3/b10-4+

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InChIKey: OMVMCDNNZUWLJK-ONNFQVAWSA-N

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Reference

PubChem CID: 171120575

CAS: 1801427-48-4

Source

Species Genus Family Order Class Phylum Kingdom Domain
Micromelum falcatum Micromelum Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 343.379

TPSA: 90.23

MolLogP: 2.3116000000000008

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011499 COc1cc(/C=C/C(=O)[CoA])ccc1O.CNCC(O)c1ccc(O)cc1>>COc1cc(/C=C/C(=O)N(C)CC(O)c2ccc(O)cc2)ccc1O enzymemap_28464