Lansai E

Details

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Internal ID 218d2a1d-12c5-4286-9610-6df568e9c28b
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name 1-methyl-6-(2-methylpropylidene)piperazine-2,3,5-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C9H12N2O3/c1-5(2)4-6-7(12)10-8(13)9(14)11(6)3/h4-5H,1-3H3,(H,10,12,13)
InChI Key ILNIEDZGKQKWNQ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C9H12N2O3
Molecular Weight 196.20 g/mol
Exact Mass 196.08479225 g/mol
Topological Polar Surface Area (TPSA) 66.50 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Lansai E

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL2581 P07339 Cathepsin D 94.94% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.96% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 90.82% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.76% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.56% 93.40%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.84% 94.45%
CHEMBL230 P35354 Cyclooxygenase-2 81.22% 89.63%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.09% 90.08%

Plants that contains it

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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

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PubChem 146682899
LOTUS LTS0002473
wikiData Q105115321