4-(4-Methoxyphenyl)cyclohex-2-en-1-one

Details

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Internal ID 995e0d44-6693-45b7-845d-315a802ec8c6
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name 4-(4-methoxyphenyl)cyclohex-2-en-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H14O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2,4-6,8-10H,3,7H2,1H3
InChI Key LMAXLUOJLKHQGH-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H14O2
Molecular Weight 202.25 g/mol
Exact Mass 202.099379685 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-(4-Methoxyphenyl)cyclohex-2-en-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.31% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 95.94% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.15% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.69% 96.09%
CHEMBL4208 P20618 Proteasome component C5 90.24% 90.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.51% 93.99%
CHEMBL2581 P07339 Cathepsin D 87.41% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.97% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.60% 94.00%

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.
Plagiochila longispina

Cross-Links

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PubChem 163192558
LOTUS LTS0200304
wikiData Q105153827