Megistoquinone II

Details

Top
Internal ID b28c9a37-c23c-44e7-b737-c758d2749901
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinoline quinones
IUPAC Name 4,7-dimethoxy-3-[(E)-2-methoxyethenyl]-1H-quinoline-2,5,8-trione
SMILES (Canonical) COC=CC1=C(C2=C(C(=O)C(=CC2=O)OC)NC1=O)OC
SMILES (Isomeric) CO/C=C/C1=C(C2=C(C(=O)C(=CC2=O)OC)NC1=O)OC
InChI InChI=1S/C14H13NO6/c1-19-5-4-7-13(21-3)10-8(16)6-9(20-2)12(17)11(10)15-14(7)18/h4-6H,1-3H3,(H,15,18)/b5-4+
InChI Key TWQXMNNYQLKWEN-SNAWJCMRSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C14H13NO6
Molecular Weight 291.26 g/mol
Exact Mass 291.07428713 g/mol
Topological Polar Surface Area (TPSA) 90.90 Ų
XlogP -0.10

Synonyms

Top
4,7-dimethoxy-3-[(E)-2-methoxyethenyl]-1H-quinoline-2,5,8-trione

2D Structure

Top
2D Structure of Megistoquinone II

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 94.47% 95.56%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 91.39% 92.68%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.17% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.06% 96.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 89.31% 86.92%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.18% 93.99%
CHEMBL2581 P07339 Cathepsin D 86.63% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.67% 93.40%
CHEMBL255 P29275 Adenosine A2b receptor 81.59% 98.59%
CHEMBL2535 P11166 Glucose transporter 80.54% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.02% 96.09%

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.
Sarcomelicope megistophylla

Cross-Links

Top
PubChem 11779017
LOTUS LTS0113192
wikiData Q105266023