Resacetophenone

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

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	356 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 Å²
XlogP	1.70

Synonyms

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2',4'-DIHYDROXYACETOPHENONE

2,4-Dihydroxyacetophenone

1-(2,4-Dihydroxyphenyl)ethanone

Resacetophenone

4-Acetylresorcinol

Resoacetophenone

Ethanone, 1-(2,4-dihydroxyphenyl)-

1-(2,4-dihydroxyphenyl)ethan-1-one

UC3V356VZC

CHEBI:18414

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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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%

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.

Chasmanthera dependens

Chrysanthemum morifolium

Corydalis pallida

Crepis czerepanovii

Cylindropuntia leptocaulis