Arteminin

Details

• Internal ID: 3722e627-14f4-4123-b117-d96e5739a71a
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins
• IUPAC Name: 5-hydroxy-6,8-dimethoxychromen-2-one
• SMILES (Canonical): COC1=CC(=C2C(=C1O)C=CC(=O)O2)OC
• SMILES (Isomeric): COC1=CC(=C2C(=C1O)C=CC(=O)O2)OC
• InChI: InChI=1S/C11H10O5/c1-14-7-5-8(15-2)11-6(10(7)13)3-4-9(12)16-11/h3-5,13H,1-2H3
• InChI Key: MGWVMALVHHWUDF-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₅
• Molecular Weight: 222.19 g/mol
• Exact Mass: 222.05282342 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 1.50

Synonyms

• 466639-11-2
• 5-hydroxy-6,8-dimethoxychromen-2-one
• 5-hydroxy-6,8-dimethoxycoumarin
• HY-N10819
• AKOS040734892
• FS-7946
• CS-0636833

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	98.24%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.42%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.70%	94.00%
CHEMBL2581	P07339	Cathepsin D	91.11%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.82%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.76%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.32%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.77%	85.14%
CHEMBL2535	P11166	Glucose transporter	81.22%	98.75%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	81.20%	94.03%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	80.91%	98.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.90%	99.23%

Plants that contains it

• Artemisia carvifolia

Cross-Links

• PubChem: 91237950
• LOTUS: LTS0030579
• wikiData: Q105163618