Lumizinone B

Details

• Internal ID: a5bfa7c9-632a-47b4-a657-b9f519950e44
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one
• InChI: InChI=1S/C18H16N2O2/c21-16-8-6-14(7-9-16)10-15-12-19-17(18(22)20-15)11-13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H,20,22)
• InChI Key: LBNQMJZBIOGTPK-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₆N₂O₂
• Molecular Weight: 292.30 g/mol
• Exact Mass: 292.121177757 g/mol
• Topological Polar Surface Area (TPSA): 61.70 Ų
• XlogP: 2.40

Synonyms

• CHEBI:225560
• 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-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
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	96.34%	95.50%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	93.37%	94.62%
CHEMBL2535	P11166	Glucose transporter	93.09%	98.75%
CHEMBL2581	P07339	Cathepsin D	92.05%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.95%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.54%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.28%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.91%	86.33%
CHEMBL1952	P04818	Thymidylate synthase	84.89%	93.53%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.81%	94.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	84.58%	91.71%
CHEMBL3401	O75469	Pregnane X receptor	82.98%	94.73%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	80.29%	92.67%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132599738
• LOTUS: LTS0108162
• wikiData: Q104170791