Litsealactone A

Details

• Internal ID: 48acb19b-2d69-43be-9246-472794f90e24
• Taxonomy: Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
• IUPAC Name: (2R)-2-methyl-4-[(1E,11E)-tetradeca-1,11-dienyl]-2H-furan-5-one
• SMILES (Canonical): CCC=CCCCCCCCCC=CC1=CC(OC1=O)C
• SMILES (Isomeric): CC/C=C/CCCCCCCC/C=C/C1=C[C@H](OC1=O)C
• InChI: InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-17(2)21-19(18)20/h4-5,14-17H,3,6-13H2,1-2H3/b5-4+,15-14+/t17-/m1/s1
• InChI Key: HJMNNNZDNOMMTG-UWWSUYHISA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₀O₂
• Molecular Weight: 290.40 g/mol
• Exact Mass: 290.224580195 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 6.60

Synonyms

• CHEMBL461616

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
CHEMBL3060	Q9Y345	Glycine transporter 2	91.03%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.13%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.03%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.45%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.99%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.15%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	85.83%	94.73%

Plants that contains it

• Litsea japonica

Cross-Links

• PubChem: 9994397
• LOTUS: LTS0115874
• wikiData: Q105029333