6-Hydroxy-2-methyl-4a,8a-dihydronaphthalene-1,4-dione

Details

• Internal ID: fb0b11e6-41be-4ebc-9fef-df06a309d212
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
• IUPAC Name: 6-hydroxy-2-methyl-4a,8a-dihydronaphthalene-1,4-dione
• SMILES (Canonical): CC1=CC(=O)C2C=C(C=CC2C1=O)O
• SMILES (Isomeric): CC1=CC(=O)C2C=C(C=CC2C1=O)O
• InChI: InChI=1S/C11H10O3/c1-6-4-10(13)9-5-7(12)2-3-8(9)11(6)14/h2-5,8-9,12H,1H3
• InChI Key: AGLMODUVVBZYHW-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.19 g/mol
• Exact Mass: 190.062994177 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 0.90

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.59%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.24%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.22%	91.11%
CHEMBL1937	Q92769	Histone deacetylase 2	88.54%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.78%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.31%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.27%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.99%	96.09%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	83.56%	93.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682146
• LOTUS: LTS0210607
• wikiData: Q104911875