2-[8-(5-Phenylpenta-2,4-dienyl)-7-bicyclo[4.2.0]octa-2,4-dienyl]acetic acid

Details

• Internal ID: fcaf17d1-eabb-443e-9313-b2a17f0f755e
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: 2-[8-(5-phenylpenta-2,4-dienyl)-7-bicyclo[4.2.0]octa-2,4-dienyl]acetic acid
• InChI: InChI=1S/C21H22O2/c22-21(23)15-20-18(17-13-7-8-14-19(17)20)12-6-2-5-11-16-9-3-1-4-10-16/h1-11,13-14,17-20H,12,15H2,(H,22,23)
• InChI Key: JAGDNRCRBFUEMA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₂O₂
• Molecular Weight: 306.40 g/mol
• Exact Mass: 306.161979940 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 4.80

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
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	93.32%	94.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.72%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.34%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.17%	95.56%
CHEMBL2581	P07339	Cathepsin D	86.81%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.93%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.64%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.12%	99.17%
CHEMBL5028	O14672	ADAM10	81.10%	97.50%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	80.41%	94.23%

Plants that contains it

• Endiandra introrsa

Cross-Links

• PubChem: 163090334
• LOTUS: LTS0063657
• wikiData: Q105123758