4,5-dihydroxy-8-(5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)-3,4-dihydro-2H-naphthalen-1-one

Details

• Internal ID: 50ccfb87-a095-4fcb-bca1-22604411c0d9
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: 4,5-dihydroxy-8-(5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)-3,4-dihydro-2H-naphthalen-1-one
• InChI: InChI=1S/C20H18O5/c21-13-3-1-2-11-10(4-6-14(22)18(11)13)12-5-7-16(24)20-17(25)9-8-15(23)19(12)20/h1-3,5,7,10,17,21,24-25H,4,6,8-9H2
• InChI Key: BXGHBKTYAIAELJ-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₈O₅
• Molecular Weight: 338.40 g/mol
• Exact Mass: 338.11542367 g/mol
• Topological Polar Surface Area (TPSA): 94.80 Ų
• XlogP: 2.30

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	97.11%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.58%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.82%	95.56%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	91.64%	93.03%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.38%	99.23%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.12%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.62%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.46%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.19%	97.09%
CHEMBL4422	O14842	Free fatty acid receptor 1	80.85%	93.33%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	80.30%	96.38%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 85432286
• LOTUS: LTS0130290
• wikiData: Q103817101