[4-(2-Hydroxyethenyl)phenyl] 4-hydroxy-3-nitrosobenzoate

Details

Top
Internal ID 45887251-b2ae-43b0-bae4-81dd26398ce0
Taxonomy Phenylpropanoids and polyketides > Depsides and depsidones
IUPAC Name [4-(2-hydroxyethenyl)phenyl] 4-hydroxy-3-nitrosobenzoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H11NO5/c17-8-7-10-1-4-12(5-2-10)21-15(19)11-3-6-14(18)13(9-11)16-20/h1-9,17-18H
InChI Key PBSUTSPSCBYDLK-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H11NO5
Molecular Weight 285.25 g/mol
Exact Mass 285.06372245 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 3.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of [4-(2-Hydroxyethenyl)phenyl] 4-hydroxy-3-nitrosobenzoate

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 98.27% 91.11%
CHEMBL3194 P02766 Transthyretin 95.09% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 94.29% 91.49%
CHEMBL4208 P20618 Proteasome component C5 90.88% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.07% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.40% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.47% 93.99%
CHEMBL2535 P11166 Glucose transporter 87.82% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.39% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.32% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.86% 90.71%
CHEMBL3959 P16083 Quinone reductase 2 82.61% 89.49%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 82.06% 87.67%
CHEMBL2243 O00519 Anandamide amidohydrolase 81.54% 97.53%

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 73161163
LOTUS LTS0134567
wikiData Q104194240