6-Ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one

Details

• Internal ID: 685ee85f-fbb3-4ad3-8913-510af56af53d
• Taxonomy: Organoheterocyclic compounds > Pyranopyridines
• IUPAC Name: 6-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
• SMILES (Canonical): C=CC1=NC=C2C(=C1)CCOC2=O
• SMILES (Isomeric): C=CC1=NC=C2C(=C1)CCOC2=O
• InChI: InChI=1S/C10H9NO2/c1-2-8-5-7-3-4-13-10(12)9(7)6-11-8/h2,5-6H,1,3-4H2
• InChI Key: YXEZXGJYPKMKEJ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.18 g/mol
• Exact Mass: 175.063328530 g/mol
• Topological Polar Surface Area (TPSA): 39.20 Ų
• XlogP: 1.60

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
CHEMBL4040	P28482	MAP kinase ERK2	93.31%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.68%	86.33%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	92.40%	93.40%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.95%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	90.60%	91.49%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.01%	91.11%
CHEMBL230	P35354	Cyclooxygenase-2	86.04%	89.63%
CHEMBL2581	P07339	Cathepsin D	85.93%	98.95%
CHEMBL1841	P06241	Tyrosine-protein kinase FYN	83.84%	81.29%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.53%	89.34%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.89%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.37%	85.14%
CHEMBL4530	P00488	Coagulation factor XIII	81.17%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.92%	99.17%
CHEMBL2208	P49137	MAP kinase-activated protein kinase 2	80.49%	95.20%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.47%	95.89%

Plants that contains it

• Schenkia spicata

Cross-Links

• PubChem: 162991447
• LOTUS: LTS0204331
• wikiData: Q105367543