7-O-Methyl Naringenin

Details

• Internal ID: c4b69a4e-f448-40b6-98d9-afff9dae6330
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: (2S)-7-acetyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=O)C1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
• SMILES (Isomeric): CC(=O)C1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O
• InChI: InChI=1S/C17H14O5/c1-9(18)11-6-13(20)17-14(21)8-15(22-16(17)7-11)10-2-4-12(19)5-3-10/h2-7,15,19-20H,8H2,1H3/t15-/m0/s1
• InChI Key: MJDZZDSZRFXPRN-HNNXBMFYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₅
• Molecular Weight: 298.29 g/mol
• Exact Mass: 298.08412354 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 2.40

Synonyms

• CHEMBL1170808

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	98.21%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.04%	89.00%
CHEMBL2581	P07339	Cathepsin D	92.12%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.37%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.32%	85.14%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	88.96%	85.11%
CHEMBL4208	P20618	Proteasome component C5	88.77%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.23%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.80%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.52%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.87%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.24%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	84.32%	94.73%
CHEMBL340	P08684	Cytochrome P450 3A4	84.01%	91.19%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.97%	94.45%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.57%	94.80%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	82.37%	85.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.19%	99.17%

Plants that contains it

• Cryptocarya obovata

Cross-Links

• PubChem: 49798152
• LOTUS: LTS0064785
• wikiData: Q105165364