Paralactonic acid C

Details

• Internal ID: 5223ba3c-3e6f-4382-ac39-237495263efb
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
• IUPAC Name: (2E,4E)-5-[(2S,3S)-5-(2-carboxyethyl)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]penta-2,4-dienoic acid
• InChI: InChI=1S/C14H16O6/c1-9-8-10(6-7-13(17)18)14(19)20-11(9)4-2-3-5-12(15)16/h2-5,8-9,11H,6-7H2,1H3,(H,15,16)(H,17,18)/b4-2+,5-3+/t9-,11-/m0/s1
• InChI Key: KVPQGNJRYLOXMG-RUVHQKKISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₆O₆
• Molecular Weight: 280.27 g/mol
• Exact Mass: 280.09468823 g/mol
• Topological Polar Surface Area (TPSA): 101.00 Ų
• XlogP: 1.30

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.31%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.38%	86.33%
CHEMBL2581	P07339	Cathepsin D	89.94%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.22%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.88%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.71%	99.23%
CHEMBL221	P23219	Cyclooxygenase-1	83.51%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	82.75%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683307
• LOTUS: LTS0091452
• wikiData: Q105146655