5,8-Dihydroxy-3,4-dihydro-1(2H)-naphthalenone

Details

• Internal ID: 0cdf2857-7db3-4982-be8f-2db1b68b3e04
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: 5,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
• InChI: InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,11,13H,1-3H2
• InChI Key: RXOWVXQQENEZMJ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18 g/mol
• Exact Mass: 178.062994177 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 1.90

Synonyms

• 1077-69-6
• 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dihydroxy-
• 5,8-Dihydroxy-3,4-dihydro-1(2H)-naphthalenone
• 5,8-dihydroxytetralin-1-one
• CHEMBL1990392
• AKOS006291843
• NSC-616265
• NCI60_005044

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	98.56%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	93.88%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.80%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.58%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.19%	99.15%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.13%	93.40%
CHEMBL4208	P20618	Proteasome component C5	83.71%	90.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.05%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.01%	94.45%
CHEMBL1929	P47989	Xanthine dehydrogenase	81.56%	96.12%

Plants that contains it

• Engelhardia roxburghiana

Cross-Links

• PubChem: 357437
• LOTUS: LTS0128562
• wikiData: Q105247205