5,7,8-Trihydroxy-6-methoxy-2-methylnaphthalene-1,4-dione

Details

• Internal ID: a175679d-1ba5-44d4-a838-0adf17b138f7
• Taxonomy: Benzenoids > Naphthalenes > Naphthoquinones
• IUPAC Name: 3,5,8-trihydroxy-2-methoxy-6-methylnaphthalene-1,4-dione
• InChI: InChI=1S/C12H10O6/c1-4-3-5(13)6-7(8(4)14)9(15)11(17)12(18-2)10(6)16/h3,13-14,17H,1-2H3
• InChI Key: CANWRRUENPAJPT-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O₆
• Molecular Weight: 250.20 g/mol
• Exact Mass: 250.04773803 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.20

Synonyms

• 5,7,8-trihydroxy-6-methoxy-2-methylnaphthalene-1,4-dione
• DTXSID40702016

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	97.14%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.98%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.32%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	90.32%	94.73%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.48%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.47%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.06%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.93%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.67%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.59%	89.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.77%	91.07%
CHEMBL4208	P20618	Proteasome component C5	80.40%	90.00%

Plants that contains it

• Nepenthes rafflesiana

Cross-Links

• PubChem: 136600443
• LOTUS: LTS0071989
• wikiData: Q104951658