Cyclo(D-6-Hyp-L-Phe)

Details

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Internal ID 0fe953be-152d-4b8e-8bfa-9576d76532ce
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name (3S,8aS)-3-benzyl-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H16N2O3/c17-12-11(9-10-5-2-1-3-6-10)15-13(18)14(19)7-4-8-16(12)14/h1-3,5-6,11,19H,4,7-9H2,(H,15,18)/t11-,14-/m0/s1
InChI Key ZNFLWFXFHVQUPK-FZMZJTMJSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C14H16N2O3
Molecular Weight 260.29 g/mol
Exact Mass 260.11609238 g/mol
Topological Polar Surface Area (TPSA) 69.60 Ų
XlogP 0.60

Synonyms

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CHEMBL479679
InChI=1/C14H16N2O3/c17-12-11(9-10-5-2-1-3-6-10)15-13(18)14(19)7-4-8-16(12)14/h1-3,5-6,11,19H,4,7-9H2,(H,15,18)/t11-,14-/m0/s

2D Structure

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2D Structure of Cyclo(D-6-Hyp-L-Phe)

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 98.15% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.40% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.08% 95.56%
CHEMBL221 P23219 Cyclooxygenase-1 90.86% 90.17%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 90.71% 82.69%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 90.25% 97.64%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.80% 91.11%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.46% 93.03%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 86.33% 93.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.84% 97.25%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.55% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.85% 97.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.12% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.56% 95.89%
CHEMBL4208 P20618 Proteasome component C5 80.36% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 11673336
LOTUS LTS0091732
wikiData Q77280821