Citpressine I

Details

Top
Internal ID 65d14772-d99d-436a-a3af-d98c24e85d8a
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
IUPAC Name 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
SMILES (Canonical) CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)O)OC
SMILES (Isomeric) CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)O)OC
InChI InChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-12(19)13(10)15(20)9-4-5-11(18)16(22-3)14(9)17/h4-7,18-19H,1-3H3
InChI Key OQMSMWRXIZYYNR-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H15NO5
Molecular Weight 301.29 g/mol
Exact Mass 301.09502258 g/mol
Topological Polar Surface Area (TPSA) 79.20 Ų
XlogP 2.90

Synonyms

Top
P3864YU5DK
1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
81525-58-8
UNII-P3864YU5DK
1,6-Dihydroxy-3,5-dimethoxy-10-methyl-9(10H)-acridinone
CHEMBL-455602
9(10H)-Acridinone, 1,6-dihydroxy-3,5-dimethoxy-10-methyl-
3,5-Dimethoxy-10-methyl-1,6-bis(oxidanyl)acridin-9-one
CHEMBL455602
CHEBI:168960
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Citpressine I

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.73% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 96.69% 99.15%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.67% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.15% 94.45%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.01% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.46% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.42% 94.00%
CHEMBL2581 P07339 Cathepsin D 92.35% 98.95%
CHEMBL4208 P20618 Proteasome component C5 90.95% 90.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 90.88% 80.78%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.97% 89.00%
CHEMBL2535 P11166 Glucose transporter 88.43% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.40% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.79% 86.33%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 85.90% 94.42%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.56% 93.65%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.62% 92.68%
CHEMBL1951 P21397 Monoamine oxidase A 82.55% 91.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.59% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.47% 99.17%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Citrus × aurantium
Citrus maxima

Cross-Links

Top
PubChem 5494827
LOTUS LTS0071155
wikiData Q104395922