Annoquinone A

Details

• Internal ID: 0090cc31-1ee0-4d01-a8d2-8c30c39344a8
• Taxonomy: Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes
• IUPAC Name: 3-methoxyphenanthrene-1,4-dione
• InChI: InChI=1S/C15H10O3/c1-18-13-8-12(16)11-7-6-9-4-2-3-5-10(9)14(11)15(13)17/h2-8H,1H3
• InChI Key: BTIQIBXDCYXMBX-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₀O₃
• Molecular Weight: 238.24 g/mol
• Exact Mass: 238.062994177 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 2.60

Synonyms

• Annoquinone A
• CHEMBL510399
• NSC-609701

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	96.02%	95.56%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	95.62%	85.94%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	94.19%	96.67%
CHEMBL2581	P07339	Cathepsin D	93.46%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.22%	91.11%
CHEMBL1907	P15144	Aminopeptidase N	89.33%	93.31%
CHEMBL2535	P11166	Glucose transporter	88.81%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.49%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.45%	96.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.32%	99.23%
CHEMBL1951	P21397	Monoamine oxidase A	86.19%	91.49%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.92%	94.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.78%	93.99%
CHEMBL230	P35354	Cyclooxygenase-2	81.96%	89.63%

Plants that contains it

• Annona montana

Cross-Links

• PubChem: 355646
• LOTUS: LTS0096232
• wikiData: Q104945653