3,6-Dimethoxyphenanthrene-1,4,5,8-tetrone

Details

• Internal ID: 9e4ac791-6b37-4989-869e-0925248adc78
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 3,6-dimethoxyphenanthrene-1,4,5,8-tetrone
• SMILES (Canonical): COC1=CC(=O)C2=C(C1=O)C3=C(C=C2)C(=O)C=C(C3=O)OC
• SMILES (Isomeric): COC1=CC(=O)C2=C(C1=O)C3=C(C=C2)C(=O)C=C(C3=O)OC
• InChI: InChI=1S/C16H10O6/c1-21-11-5-9(17)7-3-4-8-10(18)6-12(22-2)16(20)14(8)13(7)15(11)19/h3-6H,1-2H3
• InChI Key: UVPSSGJTBLNVRE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₀O₆
• Molecular Weight: 298.25 g/mol
• Exact Mass: 298.04773803 g/mol
• Topological Polar Surface Area (TPSA): 86.70 Ų
• XlogP: 1.30

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.48%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.17%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.47%	94.45%
CHEMBL2581	P07339	Cathepsin D	88.65%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.80%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.24%	94.00%
CHEMBL2535	P11166	Glucose transporter	86.00%	98.75%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.80%	93.99%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.98%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.65%	89.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.29%	89.62%

Plants that contains it

• Dendrobium moniliforme

Cross-Links

• PubChem: 44550923
• LOTUS: LTS0221151
• wikiData: Q105280033