Youssoufene B4

Details

• Internal ID: 7e3efb71-d4f1-44fd-b310-f00a2cd09903
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: (2E,4E)-5-[2-[(1Z,3E,5E,7E)-nona-1,3,5,7-tetraenyl]phenyl]penta-2,4-dienoic acid
• InChI: InChI=1S/C20H20O2/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)16-11-12-17-20(21)22/h2-17H,1H3,(H,21,22)/b3-2+,5-4+,7-6+,13-8-,16-11+,17-12+
• InChI Key: WDDIDKVGAUZJRA-CGAUJLMDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₂
• Molecular Weight: 292.40 g/mol
• Exact Mass: 292.146329876 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 5.50

Synonyms

• (2E,4E)-5-[2-[(1Z,3E,5E,7E)-nona-1,3,5,7-tetraenyl]phenyl]penta-2,4-dienoic acid
• (2E,4E)-5-(2-((1Z,3E,5E,7E)-nona-1,3,5,7-tetraenyl)phenyl)penta-2,4-dienoic acid
• RefChem:195724
• Youbetaoufene B4
• CHEBI:217074

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.89%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.74%	86.33%
CHEMBL221	P23219	Cyclooxygenase-1	89.12%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.85%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.41%	96.00%
CHEMBL2581	P07339	Cathepsin D	82.95%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.80%	95.50%
CHEMBL3401	O75469	Pregnane X receptor	81.47%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.22%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 156582926
• LOTUS: LTS0137884
• wikiData: Q105302276