8-Methyleugenitin

Details

• Internal ID: ba84ee8f-af68-4980-b4d2-32c1fe65b615
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: 5-hydroxy-7-methoxy-2,6,8-trimethylchromen-4-one
• SMILES (Canonical): CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)OC)C
• SMILES (Isomeric): CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)OC)C
• InChI: InChI=1S/C13H14O4/c1-6-5-9(14)10-11(15)7(2)12(16-4)8(3)13(10)17-6/h5,15H,1-4H3
• InChI Key: IMLZUQFBLSFYFB-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₄
• Molecular Weight: 234.25 g/mol
• Exact Mass: 234.08920892 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 2.80

Synonyms

• 5-Hydroxy-7-methoxy-2,6,8-trimethyl-4H-chromen-4-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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.80%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.05%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.56%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	88.80%	94.73%
CHEMBL2581	P07339	Cathepsin D	87.19%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.28%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.71%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.45%	99.23%

Plants that contains it

• Backhousia angustifolia

Cross-Links

• PubChem: 12306808
• LOTUS: LTS0100570
• wikiData: Q105115767