Talaroenamine E

Details

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Internal ID 4c544759-eb0b-4068-a0f8-159a3fdb6524
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name (2R)-2-hydroxy-6-[(4-hydroxy-2-methoxyphenyl)methylimino]-2,5-dimethylcyclohex-4-ene-1,3-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H17NO5/c1-9-6-13(19)16(2,21)15(20)14(9)17-8-10-4-5-11(18)7-12(10)22-3/h4-7,18,21H,8H2,1-3H3/t16-/m1/s1
InChI Key IATGCYDWADNGPJ-MRXNPFEDSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H17NO5
Molecular Weight 303.31 g/mol
Exact Mass 303.11067264 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Talaroenamine 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.65% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.21% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.34% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.86% 86.33%
CHEMBL2581 P07339 Cathepsin D 93.53% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.77% 95.56%
CHEMBL2535 P11166 Glucose transporter 92.02% 98.75%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.65% 89.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.62% 94.00%
CHEMBL4208 P20618 Proteasome component C5 83.92% 90.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.66% 93.99%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.21% 95.89%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 81.87% 82.38%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 80.72% 96.09%
CHEMBL1937 Q92769 Histone deacetylase 2 80.48% 94.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.41% 99.17%

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 139584870
LOTUS LTS0089956
wikiData Q77377225