1-Hydroxy-2,3,6,7-tetramethoxy-10-methylacridin-9-one

Details

Top
Internal ID 7278e76e-9855-4239-9be0-998d5251a735
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
IUPAC Name 1-hydroxy-2,3,6,7-tetramethoxy-10-methylacridin-9-one
SMILES (Canonical) CN1C2=CC(=C(C=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O)OC)OC
SMILES (Isomeric) CN1C2=CC(=C(C=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O)OC)OC
InChI InChI=1S/C18H19NO6/c1-19-10-7-13(23-3)12(22-2)6-9(10)16(20)15-11(19)8-14(24-4)18(25-5)17(15)21/h6-8,21H,1-5H3
InChI Key HBNBAVVVZLIKJN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H19NO6
Molecular Weight 345.30 g/mol
Exact Mass 345.12123733 g/mol
Topological Polar Surface Area (TPSA) 77.50 Ų
XlogP 3.20

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 1-Hydroxy-2,3,6,7-tetramethoxy-10-methylacridin-9-one

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 96.25% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.48% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.62% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.83% 85.14%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.75% 93.99%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.34% 89.00%
CHEMBL2581 P07339 Cathepsin D 91.03% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.10% 86.33%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 87.51% 94.42%
CHEMBL2535 P11166 Glucose transporter 87.27% 98.75%
CHEMBL1937 Q92769 Histone deacetylase 2 85.85% 94.75%
CHEMBL3132741 P55201 Peregrin 84.35% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.24% 91.11%
CHEMBL4208 P20618 Proteasome component C5 83.89% 90.00%
CHEMBL217 P14416 Dopamine D2 receptor 80.74% 95.62%

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.
Asparagus falcatus
Millettia griffoniana
Vepris nobilis

Cross-Links

Top
PubChem 163041408
LOTUS LTS0146360
wikiData Q105298412