2-Amino-5-[2-(2-hydroxyphenyl)hydrazinyl]-5-oxopentanoic acid

Details

Top
Internal ID 7e5ca5e2-bb1e-40ba-b89e-998093860251
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives
IUPAC Name 2-amino-5-[2-(2-hydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
SMILES (Canonical) C1=CC=C(C(=C1)NNC(=O)CCC(C(=O)O)N)O
SMILES (Isomeric) C1=CC=C(C(=C1)NNC(=O)CCC(C(=O)O)N)O
InChI InChI=1S/C11H15N3O4/c12-7(11(17)18)5-6-10(16)14-13-8-3-1-2-4-9(8)15/h1-4,7,13,15H,5-6,12H2,(H,14,16)(H,17,18)
InChI Key CRSVHQICRXRCEP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C11H15N3O4
Molecular Weight 253.25 g/mol
Exact Mass 253.10625597 g/mol
Topological Polar Surface Area (TPSA) 125.00 Ų
XlogP -1.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2-Amino-5-[2-(2-hydroxyphenyl)hydrazinyl]-5-oxopentanoic acid

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.00% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 95.42% 90.17%
CHEMBL2581 P07339 Cathepsin D 94.60% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.73% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.41% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.63% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 92.28% 94.62%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 88.12% 94.08%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.81% 99.15%
CHEMBL1255126 O15151 Protein Mdm4 84.41% 90.20%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.71% 99.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.32% 95.50%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.90% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 80.87% 94.73%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 46212659
LOTUS LTS0096016
wikiData Q103817981