Resacetophenone

Details

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Internal ID 830528e5-41c2-438b-8b88-72917c16fd3a
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name 1-(2,4-dihydroxyphenyl)ethanone
SMILES (Canonical) CC(=O)C1=C(C=C(C=C1)O)O
SMILES (Isomeric) CC(=O)C1=C(C=C(C=C1)O)O
InChI InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
InChI Key SULYEHHGGXARJS-UHFFFAOYSA-N
Popularity 331 references in papers

Physical and Chemical Properties

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Molecular Formula C8H8O3
Molecular Weight 152.15 g/mol
Exact Mass 152.047344113 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 1.70

Synonyms

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89-84-9
2,4-Dihydroxyacetophenone
Resacetophenone
1-(2,4-Dihydroxyphenyl)ethanone
4-Acetylresorcinol
Resoacetophenone
Ethanone, 1-(2,4-dihydroxyphenyl)-
1-Acetyl-2,4-dihydroxybenzene
Resorcinol, 4-acetyl-
1-(2,4-dihydroxyphenyl)ethan-1-one
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Resacetophenone

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 94.69% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.67% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.08% 96.09%
CHEMBL4208 P20618 Proteasome component C5 85.82% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 85.40% 94.73%
CHEMBL2535 P11166 Glucose transporter 83.28% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.81% 95.56%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.70% 93.10%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.33% 86.33%

Cross-Links

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PubChem 6990
NPASS NPC161617
ChEMBL CHEMBL243374
LOTUS LTS0113096
wikiData Q27103063