8-Methylnaringenin

Details

• Internal ID: dfd30922-76a3-410c-b519-b7450c68a9b8
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC=C(C=C3)O
• SMILES (Isomeric): CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O
• InChI: InChI=1S/C16H14O5/c1-8-11(18)6-12(19)15-13(20)7-14(21-16(8)15)9-2-4-10(17)5-3-9/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
• InChI Key: GMVYLXBMPRDZDR-AWEZNQCLSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28 g/mol
• Exact Mass: 286.08412354 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 2.80

Synonyms

• CHEMBL426154
• AKOS037515064
• FS-7089
• PD183336
• (2s)-4',5,7-trihydroxy-8-methylflavanone
• 5,7,4 inverted exclamation mark -Trihydroxy-8-methylflavanone

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL242	Q92731	Estrogen receptor beta	863 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.18%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.66%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.11%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.63%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.44%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.82%	99.23%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	85.83%	85.11%
CHEMBL3401	O75469	Pregnane X receptor	84.55%	94.73%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	83.88%	90.93%
CHEMBL4208	P20618	Proteasome component C5	83.55%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.90%	94.45%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.79%	99.15%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.59%	90.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.98%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.68%	94.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.92%	93.40%

Plants that contains it

• Rhododendron spinuliferum

Cross-Links

• PubChem: 44418717
• LOTUS: LTS0052032
• wikiData: Q105012192