Desmethyl dermoquinone

Details

• Internal ID: 17faa4df-d80c-4ed8-aef5-a48185a2ef32
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
• IUPAC Name: 1,3,8-trihydroxy-6-(2-oxopropyl)anthracene-9,10-dione
• InChI: InChI=1S/C17H12O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-6,19-21H,2H2,1H3
• InChI Key: RWRSHBQDDHCLAY-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₂O₆
• Molecular Weight: 312.27 g/mol
• Exact Mass: 312.06338810 g/mol
• Topological Polar Surface Area (TPSA): 112.00 Ų
• XlogP: 2.00

Synonyms

• Desmethyl dermoquinone
• SCHEMBL18048122
• BDBM50020378

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
CHEMBL2581	P07339	Cathepsin D	98.86%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.59%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.15%	96.09%
CHEMBL4208	P20618	Proteasome component C5	90.60%	90.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.78%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.12%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	85.36%	94.73%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.24%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.85%	99.17%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	82.67%	96.38%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.94%	94.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 90644759
• LOTUS: LTS0075514
• wikiData: Q104197015