citpressine II

Details

• Internal ID: 4dd20e6a-0bd8-4361-a58f-84ff34441635
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
• IUPAC Name: 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
• SMILES (Canonical): CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)OC)OC
• SMILES (Isomeric): CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)OC)OC
• InChI: InChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3
• InChI Key: CHCYJKZBXNSGCG-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₇NO₅
• Molecular Weight: 315.32 g/mol
• Exact Mass: 315.11067264 g/mol
• Topological Polar Surface Area (TPSA): 68.20 Ų
• XlogP: 3.20

Synonyms

• 81525-59-9
• 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
• CHEBI:172546
• DTXSID101207559
• 1-Hydroxy-3,5,6-trimethoxy-10-methylacridone
• 1-hydroxy-3,5,6-trimethoxy-10-methyl-acridin-9-one
• 1-Hydroxy-3,5,6-trimethoxy-10-methyl-9(10H)-acridinone
• 9(10H)-Acridinone, 1-hydroxy-3,5,6-trimethoxy-10-methyl-
• 1-hydroxy-3,5,6-trimethoxy-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	97.05%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.76%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.68%	96.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	94.65%	93.99%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.43%	99.15%
CHEMBL2581	P07339	Cathepsin D	93.42%	98.95%
CHEMBL2535	P11166	Glucose transporter	91.60%	98.75%
CHEMBL4208	P20618	Proteasome component C5	91.49%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.38%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.22%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.46%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.02%	86.33%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	88.25%	92.68%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	87.20%	89.62%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	87.09%	80.78%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	86.98%	93.65%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.42%	94.42%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.05%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.62%	99.17%

Plants that contains it

• Citrus × aurantium
• Citrus maxima

Cross-Links

• PubChem: 5494828
• LOTUS: LTS0178502
• wikiData: Q104395923