O-Methylexostemin

Details

• Internal ID: 8dfd6d11-dad6-4cc7-9a7d-e7f3c94a9ac2
• Taxonomy: Phenylpropanoids and polyketides > Neoflavonoids > Neoflavones
• IUPAC Name: 5,7,8-trimethoxy-4-(4-methoxyphenyl)chromen-2-one
• InChI: InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)13-9-16(20)25-19-17(13)14(22-2)10-15(23-3)18(19)24-4/h5-10H,1-4H3
• InChI Key: ATUWQWOHLKRHRS-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₈O₆
• Molecular Weight: 342.30 g/mol
• Exact Mass: 342.11033829 g/mol
• Topological Polar Surface Area (TPSA): 63.20 Ų
• XlogP: 3.00

Synonyms

• CHEMBL1173075

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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.30%	94.00%
CHEMBL1907	P15144	Aminopeptidase N	94.53%	93.31%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.18%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.16%	86.33%
CHEMBL2581	P07339	Cathepsin D	90.71%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.78%	91.11%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	88.25%	95.53%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.67%	86.92%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.44%	99.15%
CHEMBL5747	Q92793	CREB-binding protein	86.32%	95.12%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.67%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.96%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.91%	95.50%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	81.61%	81.11%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.20%	97.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 13989375
• LOTUS: LTS0082604
• wikiData: Q104918710