1,8-Dihydroxy-2-methoxy-7-methylanthracene-9,10-dione

Details

• Internal ID: 63908ff0-8823-4d41-bdfb-977f1c9b22ef
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 1,8-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
• SMILES (Canonical): CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OC)O)O
• SMILES (Isomeric): CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OC)O)O
• InChI: InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)17)16(20)12-9(14(8)18)5-6-10(21-2)15(12)19/h3-6,17,19H,1-2H3
• InChI Key: MNKOPGIYZPOOIM-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂O₅
• Molecular Weight: 284.26 g/mol
• Exact Mass: 284.06847348 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 3.00

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	95.38%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.13%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.04%	96.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.92%	94.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.18%	91.11%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	85.84%	96.67%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.66%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.22%	86.33%
CHEMBL1951	P21397	Monoamine oxidase A	82.65%	91.49%
CHEMBL2535	P11166	Glucose transporter	81.40%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	81.17%	90.20%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.11%	99.23%

Plants that contains it

• Morinda citrifolia

Cross-Links

• PubChem: 154497026
• LOTUS: LTS0226498
• wikiData: Q105168427