1,2-Dihydroxy-3,4-dimethoxyanthracene-9,10-dione

Details

• Internal ID: e4012770-4e9b-40be-9012-863b3c5c4cc0
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
• IUPAC Name: 1,2-dihydroxy-3,4-dimethoxyanthracene-9,10-dione
• InChI: InChI=1S/C16H12O6/c1-21-15-10-9(13(19)14(20)16(15)22-2)11(17)7-5-3-4-6-8(7)12(10)18/h3-6,19-20H,1-2H3
• InChI Key: UAIXUMGCROCBRP-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂O₆
• Molecular Weight: 300.26 g/mol
• Exact Mass: 300.06338810 g/mol
• Topological Polar Surface Area (TPSA): 93.10 Ų
• XlogP: 2.70

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
CHEMBL2581	P07339	Cathepsin D	97.83%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.54%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.46%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.29%	99.23%
CHEMBL2535	P11166	Glucose transporter	87.49%	98.75%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	86.31%	82.69%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	85.30%	96.67%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.24%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.89%	86.33%
CHEMBL1951	P21397	Monoamine oxidase A	83.11%	91.49%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.71%	96.00%
CHEMBL301	P24941	Cyclin-dependent kinase 2	81.60%	91.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.68%	89.00%

Plants that contains it

• Cinchona pubescens

Cross-Links

• PubChem: 91480305
• LOTUS: LTS0190945
• wikiData: Q105268836