(4R)-4,6,9-trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one

Details

• Internal ID: adb75ebc-a3e7-4bf3-b344-8a0b7ff0d73e
• Taxonomy: Benzenoids > Anthracenes
• IUPAC Name: (4R)-4,6,9-trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one
• InChI: InChI=1S/C15H14O4/c1-7-4-9(16)5-8-6-10-11(17)2-3-12(18)14(10)15(19)13(7)8/h4-6,11,16-17,19H,2-3H2,1H3/t11-/m1/s1
• InChI Key: LIETVYHJBSLSSW-LLVKDONJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₄
• Molecular Weight: 258.27 g/mol
• Exact Mass: 258.08920892 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 2.40

Synonyms

• (4R)-4,6,9-trihydroxy-8-methyl-3,4-dihydro-2H-anthracen-1-one

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	98.27%	91.11%
CHEMBL2581	P07339	Cathepsin D	93.72%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.15%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	88.77%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.35%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.95%	89.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.20%	95.89%
CHEMBL4581	P52732	Kinesin-like protein 1	81.05%	93.18%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.98%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.15%	92.94%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 92209215
• LOTUS: LTS0123281
• wikiData: Q105152149