3-(4-Aminophenyl)-2-propenoic acid; (Z)-form 

AlkaPlorer ID: AK287197

Synonym: None

IUPAC Name: (E)-3-(4-aminophenyl)prop-2-enoic acid

Structure

SMILES: NC1=CC=C(/C=C/C(=O)O)C=C1

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InChI: InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+

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InChIKey: JOLPMPPNHIACPD-ZZXKWVIFSA-N

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Reference

PubChem CID: 1549514

CAS: 847804-09-5

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Schinus Anacardiaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 163.17600000000002

TPSA: 63.32000000000001

MolLogP: 1.3666

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Hydroxycarboxylic acid receptor 2 Activity 2.0 % 10.1016/j.bmcl.2010.11.091

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT020586 Nc1ccc(/C=C/C(=O)O)cc1>>C=Cc1ccc(N)cc1 enzymemap_81460
AKRT020587 Nc1ccc(/C=C/C(=O)O)cc1>>C=Cc1ccc(N)cc1.O=C=O None
AKRT020588 Nc1ccc(/C=C/C(=O)O)cc1>>Nc1ccc(C[C@H](N)C(=O)O)cc1 enzymemap_85643
AKRT020589 Nc1ccc(/C=C/C(=O)O)cc1>>O=C=O enzymemap_81460
AKRT020629 Nc1ccc(C[C@H](N)C(=O)O)cc1>>Nc1ccc(/C=C/C(=O)O)cc1 enzymemap_85643