1,2,5,6-Tetramethoxyanthracene-9,10-dione

Details

• Internal ID: 79d25a60-0360-4b56-aba7-c62363857205
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 1,2,5,6-tetramethoxyanthracene-9,10-dione
• SMILES (Canonical): COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)OC)OC
• SMILES (Isomeric): COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)OC)OC
• InChI: InChI=1S/C18H16O6/c1-21-11-7-5-9-13(17(11)23-3)15(19)10-6-8-12(22-2)18(24-4)14(10)16(9)20/h5-8H,1-4H3
• InChI Key: WGCZLONACVTLCZ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₆O₆
• Molecular Weight: 328.30 g/mol
• Exact Mass: 328.09468823 g/mol
• Topological Polar Surface Area (TPSA): 71.10 Ų
• XlogP: 2.80

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.47%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.81%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.19%	96.00%
CHEMBL1255126	O15151	Protein Mdm4	86.10%	90.20%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	85.47%	96.67%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.29%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.27%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.90%	86.33%
CHEMBL4247	Q9UM73	ALK tyrosine kinase receptor	83.32%	96.86%

Plants that contains it

• Cinchona calisaya

Cross-Links

• PubChem: 129703866
• LOTUS: LTS0056167
• wikiData: Q105304404