3-amino-3-(4-hydroxyphenyl)propanoic acid

AlkaPlorer ID: AK121930

Synonym: None

IUPAC Name: 3-amino-3-(4-hydroxyphenyl)propanoic acid

Structure

SMILES: NC(CC(=O)O)C1=CC=C(O)C=C1

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InChI: InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)

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InChIKey: JYPHNHPXFNEZBR-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Daphnia pulex Daphnia Daphniidae Diplostraca Branchiopoda Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 181.191

TPSA: 83.55000000000001

MolLogP: 0.8666999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Trypanosoma cruzi Trans-sialidase Inhibition 1.4 % 10.1016/j.ejmech.2018.07.005
Trypanosoma cruzi Trypanosoma cruzi Activity 50.0 % 10.1016/j.ejmech.2018.07.005
Trypanosoma cruzi Trypanosoma cruzi Activity 76.0 % 10.1016/j.ejmech.2018.07.005
Trypanosoma cruzi Trypanosoma cruzi LC50 127380.0 nM 10.1016/j.ejmech.2018.07.005
Trypanosoma cruzi Trypanosoma cruzi LC50 151520.0 nM 10.1016/j.ejmech.2018.07.005

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017355 NC(CC(=O)O)c1ccc(O)cc1>>N[C@@H](Cc1ccc(O)cc1)C(=O)O TYROSINE-23-AMINOMUTASE-RXN
AKRT019965 N[C@@H](Cc1ccc(O)cc1)C(=O)O>>NC(CC(=O)O)c1ccc(O)cc1 R00739
AKRT022558 O=C(O)/C=C/c1ccc(O)cc1>>NC(CC(=O)O)c1ccc(O)cc1 RXN-18526