Corynechromone J

Details

• Internal ID: 809ed0dd-3ecc-4583-9f70-5fe9a4899cc2
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
• IUPAC Name: ethyl 2-[7-hydroxy-2-[(E,4S)-4-hydroxypent-1-enyl]-4-oxochromen-5-yl]acetate
• InChI: InChI=1S/C18H20O6/c1-3-23-17(22)8-12-7-13(20)9-16-18(12)15(21)10-14(24-16)6-4-5-11(2)19/h4,6-7,9-11,19-20H,3,5,8H2,1-2H3/b6-4+/t11-/m0/s1
• InChI Key: ARUOHFOMZRRRLQ-MALLOTDXSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₀O₆
• Molecular Weight: 332.30 g/mol
• Exact Mass: 332.12598835 g/mol
• Topological Polar Surface Area (TPSA): 93.10 Ų
• XlogP: 2.00

Synonyms

• CHEMBL3426566

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.23%	91.11%
CHEMBL230	P35354	Cyclooxygenase-2	96.04%	89.63%
CHEMBL3401	O75469	Pregnane X receptor	95.56%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.78%	95.56%
CHEMBL2581	P07339	Cathepsin D	93.34%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.22%	89.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	92.79%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.26%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.00%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.61%	94.45%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.43%	96.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.84%	85.14%
CHEMBL3194	P02766	Transthyretin	84.39%	90.71%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.03%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.19%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 118737287
• LOTUS: LTS0134502
• wikiData: Q77511362