(2E,4E,6E,8E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-9-(2-methylphenyl)nona-2,4,6,8-tetraenamide

Details

• Internal ID: 986e7596-a056-443a-a9f0-1846a0916fa4
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: (2E,4E,6E,8E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-9-(2-methylphenyl)nona-2,4,6,8-tetraenamide
• SMILES (Canonical): CC1=CC=CC=C1C=CC=CC=CC=CC(=O)NC2=C(CCC2=O)O
• SMILES (Isomeric): CC1=CC=CC=C1/C=C/C=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O
• InChI: InChI=1S/C21H21NO3/c1-16-10-8-9-12-17(16)11-6-4-2-3-5-7-13-20(25)22-21-18(23)14-15-19(21)24/h2-13,23H,14-15H2,1H3,(H,22,25)/b4-2+,5-3+,11-6+,13-7+
• InChI Key: PEZSRJJADFIFPA-FXOISERTSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₁NO₃
• Molecular Weight: 335.40 g/mol
• Exact Mass: 335.15214353 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: 3.70

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.32%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.81%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.53%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.51%	89.00%
CHEMBL2581	P07339	Cathepsin D	88.48%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.74%	86.33%
CHEMBL5028	O14672	ADAM10	83.00%	97.50%
CHEMBL3401	O75469	Pregnane X receptor	82.12%	94.73%
CHEMBL4208	P20618	Proteasome component C5	80.77%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 155560967
• LOTUS: LTS0203658
• wikiData: Q105207588