Asparvenone

Details

• Internal ID: ab91dd54-b38b-4c00-9e69-32d8d20e2bfc
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: (4R)-7-ethyl-4,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
• InChI: InChI=1S/C12H14O4/c1-2-6-10(15)5-7-8(13)3-4-9(14)11(7)12(6)16/h5,8,13,15-16H,2-4H2,1H3/t8-/m1/s1
• InChI Key: GYXLUSUKKWRTDJ-MRVPVSSYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24 g/mol
• Exact Mass: 222.08920892 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 1.50

Synonyms

• 56495-97-7
• DGU8LPC39T
• UNII-DGU8LPC39T
• DTXSID90971912
• 7-Ethyl-3,4-dihydro-4,6,8-trihydroxy-1(2H)-naphthalenone
• 7-Ethyl-4,6,8-trihydroxy-3,4-dihydronaphthalen-1(2H)-one
• (4R)-7-ETHYL-3,4-DIHYDRO-4,6,8-TRIHYDROXY-1(2H)-NAPHTHALENONE
• 1(2H)-Naphthalenone, 7-ethyl-3,4-dihydro-4,6,8-trihydroxy-, (4R)-

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	98.54%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.07%	98.95%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	88.14%	90.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.28%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.20%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.15%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.17%	95.89%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.62%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.57%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 194018
• LOTUS: LTS0083266
• wikiData: Q82955581