1-Hydroxy-3-methoxy-10-methylacridone

Details

• Internal ID: db1e8565-d2ab-4065-8b7d-89ed775eefe3
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
• IUPAC Name: 1-hydroxy-3-methoxy-10-methylacridin-9-one
• SMILES (Canonical): CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)OC
• SMILES (Isomeric): CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)OC
• InChI: InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3
• InChI Key: OCUBFJMZYYIVBO-UHFFFAOYSA-N
• Popularity: 20 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₃NO₃
• Molecular Weight: 255.27 g/mol
• Exact Mass: 255.08954328 g/mol
• Topological Polar Surface Area (TPSA): 49.80 Ų
• XlogP: 3.30

Synonyms

• 1-Hydroxy-3-methoxy-10-methylacridone
• 1-hydroxy-3-methoxy-10-methylacridin-9-one
• 1-hydroxy-3-methoxy-n-methylacridone
• 1-Hydroxy-3-methoxy-N-methylrutacridone
• 1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone
• SCHEMBL424353
• CHEMBL1094824
• CHEBI:173801
• OCUBFJMZYYIVBO-UHFFFAOYSA-N
• NSC-681019
• NCI60_028892
• RD7-5040
• 1-Hydroxy-3-methoxy-10-methyl-9-acridanone
• 1-hydroxy-3-methoxy-10-methyl-acridin-9-one
• 1-Hydroxy-3-methoxy-10-methyl-10-hydroacridin-9-one
• 1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone #
• 1-hydroxy-3-methoxy-10-methyl-9,10-dihydroacridin-9-one

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	98.54%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	97.59%	93.99%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.69%	85.14%
CHEMBL2581	P07339	Cathepsin D	95.61%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.19%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.97%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.52%	96.09%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	91.75%	92.67%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.88%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.35%	86.33%
CHEMBL4208	P20618	Proteasome component C5	89.85%	90.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	89.75%	93.65%
CHEMBL2535	P11166	Glucose transporter	89.72%	98.75%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.51%	89.00%
CHEMBL1899	P46098	Serotonin 3a (5-HT3a) receptor	88.17%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.83%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	81.91%	94.73%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	80.69%	80.78%
CHEMBL2056	P21728	Dopamine D1 receptor	80.28%	91.00%

Plants that contains it

• Citrus maxima
• Esenbeckia berlandieri subsp. litoralis
• Esenbeckia febrifuga
• Esenbeckia pilocarpoides
• Glycosmis pentaphylla
• Rosa transmorrisonensis
• Ruta graveolens
• Thamnosma montana
• Vepris pilosa
• Zanthoxylum gilletii
• Zanthoxylum leprieurii
• Zanthoxylum rubescens

Cross-Links

• PubChem: 5377412
• NPASS: NPC206109
• ChEMBL: CHEMBL1094824
• LOTUS: LTS0138349
• wikiData: Q104193241