Megistoquinone II

Details

• 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

• 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

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

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	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

• Sarcomelicope megistophylla

Cross-Links

• PubChem: 11779017
• LOTUS: LTS0113192
• wikiData: Q105266023