(R)-4-hydroxy-2-ethyl-2-cyclohexen-1-one

Details

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Internal ID c095ebf1-6549-4d8f-9264-908fbeb1024f
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
IUPAC Name (4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one
SMILES (Canonical) CCC1=CC(CCC1=O)O
SMILES (Isomeric) CCC1=C[C@@H](CCC1=O)O
InChI InChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h5,7,9H,2-4H2,1H3/t7-/m1/s1
InChI Key XPMSNKCKSZRCNB-SSDOTTSWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C8H12O2
Molecular Weight 140.18 g/mol
Exact Mass 140.083729621 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-4-hydroxy-2-ethyl-2-cyclohexen-1-one

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 95.57% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.21% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.73% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.53% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.72% 91.11%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.63% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.13% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.82% 90.71%

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 132542145
LOTUS LTS0142492
wikiData Q105338851