4,5,8-Trihydroxytetralone

Details

• Internal ID: 38764189-b0d4-4e25-a29b-9b8fd7afc859
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: 4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
• SMILES (Canonical): C1CC(=O)C2=C(C=CC(=C2C1O)O)O
• SMILES (Isomeric): C1CC(=O)C2=C(C=CC(=C2C1O)O)O
• InChI: InChI=1S/C10H10O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2,7,11-13H,3-4H2
• InChI Key: VIORJHPCHINTKE-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.18 g/mol
• Exact Mass: 194.05790880 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 0.80

Synonyms

There are no found synonyms.

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	97.15%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.09%	95.56%
CHEMBL4040	P28482	MAP kinase ERK2	89.71%	83.82%
CHEMBL2581	P07339	Cathepsin D	88.53%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	86.62%	91.49%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.85%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.50%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.36%	99.23%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.43%	93.03%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.40%	99.15%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.02%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.50%	95.89%
CHEMBL4208	P20618	Proteasome component C5	80.03%	90.00%

Plants that contains it

• Juglans regia
• Juglans sigillata

Cross-Links

• PubChem: 10921397
• LOTUS: LTS0128399
• wikiData: Q104199468