Photinide Y

Details

• Internal ID: 4e81c76e-6f8d-4d57-a70d-8e12dceccb12
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: (2Z)-2-[2-hydroxy-1-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]ethylidene]-4-methoxy-1-benzofuran-3-one
• InChI: InChI=1S/C16H16O6/c1-8-6-12(18)22-15(8)9(7-17)16-14(19)13-10(20-2)4-3-5-11(13)21-16/h3-5,8,15,17H,6-7H2,1-2H3/b16-9-/t8-,15+/m0/s1
• InChI Key: MZQDVARUQLLSGL-ZDZYOYBQSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₆
• Molecular Weight: 304.29 g/mol
• Exact Mass: 304.09468823 g/mol
• Topological Polar Surface Area (TPSA): 82.10 Ų
• XlogP: 1.50

Synonyms

There are no found synonyms.

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
CHEMBL2581	P07339	Cathepsin D	95.91%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.51%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.49%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.08%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.83%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.93%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.60%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.64%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.26%	89.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.27%	97.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.78%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.19%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.19%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 66575606
• LOTUS: LTS0084493
• wikiData: Q77279401