Oidioperazine B

Details

Top
Internal ID 1b5b7636-6802-404f-8b7f-63c9e9fd650b
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name 6-hydroxy-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-1-methoxypiperazine-2,5-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H17N3O5/c1-23-18-13(20)12(8-19)17-14(21)15(18,22)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7,12,16,19,22H,6,8H2,1H3,(H,17,21)
InChI Key SXFOZGYJEJAZDJ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H17N3O5
Molecular Weight 319.31 g/mol
Exact Mass 319.11682065 g/mol
Topological Polar Surface Area (TPSA) 115.00 Ų
XlogP 0.20

Synonyms

Top
6-hydroxy-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-1-methoxypiperazine-2,5-dione
RefChem:168019
CHEMBL2047545
CHEBI:201961

2D Structure

Top
2D Structure of Oidioperazine B

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 98.75% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.96% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.44% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.36% 95.56%
CHEMBL3310 Q96DB2 Histone deacetylase 11 92.50% 88.56%
CHEMBL1937 Q92769 Histone deacetylase 2 91.55% 94.75%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.33% 97.25%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.06% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.00% 85.14%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.42% 92.62%
CHEMBL255 P29275 Adenosine A2b receptor 87.41% 98.59%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.78% 94.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.44% 97.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.13% 94.00%
CHEMBL5103 Q969S8 Histone deacetylase 10 83.46% 90.08%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.99% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.18% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.27% 93.99%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.20% 82.69%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 81.07% 97.64%
CHEMBL3524 P56524 Histone deacetylase 4 80.94% 92.97%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.43% 95.89%

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 59051751
LOTUS LTS0075315
wikiData Q77368408