Ancepsenolide Acetate

Details

• Internal ID: 728c7c11-4694-445e-ab06-3f524e422bc8
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins
• IUPAC Name: [(2S,3S,4R)-2-methyl-4-[12-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]dodecyl]-5-oxooxolan-3-yl] acetate
• InChI: InChI=1S/C24H38O6/c1-17-16-20(23(26)28-17)14-12-10-8-6-4-5-7-9-11-13-15-21-22(30-19(3)25)18(2)29-24(21)27/h16-18,21-22H,4-15H2,1-3H3/t17-,18-,21+,22+/m0/s1
• InChI Key: FXNASNSEMIBZQX-MOXQZVSFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₈O₆
• Molecular Weight: 422.60 g/mol
• Exact Mass: 422.26683893 g/mol
• Topological Polar Surface Area (TPSA): 78.90 Ų
• XlogP: 6.70

Synonyms

• CHEMBL519309

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	94.98%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.53%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.43%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.07%	86.33%
CHEMBL2581	P07339	Cathepsin D	88.10%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	87.95%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.53%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.03%	99.17%
CHEMBL2996	Q05655	Protein kinase C delta	80.63%	97.79%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.53%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 23427796
• LOTUS: LTS0071019
• wikiData: Q105004082