4-Hydroxy-7-methyl-1-indanone

Details

• Internal ID: 90208aa2-df81-4a41-963a-b4143a4e531d
• Taxonomy: Benzenoids > Indanes > Indanones
• IUPAC Name: 4-hydroxy-7-methyl-2,3-dihydroinden-1-one
• InChI: InChI=1S/C10H10O2/c1-6-2-4-8(11)7-3-5-9(12)10(6)7/h2,4,11H,3,5H2,1H3
• InChI Key: LQCJCAYSGRFFCU-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₂
• Molecular Weight: 162.18 g/mol
• Exact Mass: 162.068079557 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 1.70

Synonyms

• 22242-84-8
• 4-hydroxy-7-methyl-2,3-dihydroinden-1-one
• 4-hydroxy-7-methylindan-1-one
• 4-Hydroxy-7-methyl-2,3-dihydro-1H-inden-1-one
• CHEMBL503508
• SCHEMBL1275336
• DTXSID701046098
• AMY27966
• AKOS022636379

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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	97.34%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.62%	95.56%
CHEMBL2581	P07339	Cathepsin D	89.54%	98.95%
CHEMBL1913	P09619	Platelet-derived growth factor receptor beta	87.88%	95.70%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.02%	99.15%
CHEMBL1951	P21397	Monoamine oxidase A	85.60%	91.49%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.88%	93.65%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.20%	93.40%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.32%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5005111
• LOTUS: LTS0095616
• wikiData: Q77374505