YF 0200R-B

Details

• Internal ID: d72053bc-c5bf-41c1-99df-4218a904f747
• Taxonomy: Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives
• IUPAC Name: (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid
• InChI: InChI=1S/C12H20O5/c13-8-7-11(15)9-10(14)5-3-1-2-4-6-12(16)17/h1-2,4,6,10-11,13-15H,3,5,7-9H2,(H,16,17)/b2-1+,6-4+
• InChI Key: ILXMCVVGRWTBIT-ZMVSMXTFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₅
• Molecular Weight: 244.28 g/mol
• Exact Mass: 244.13107373 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: 0.30

Synonyms

• 8,10,12-Trihydroxy-2,4-dodecadienoic acid
• 156369-00-5
• (2E,4E)-8,10,12-trihydroxydodeca-2,4-dienoic acid
• SCHEMBL16431321
• YF 0200R-B
• 2,4-Dodecadienoic acid, 8,10,12-trihydroxy-

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	92.53%	83.82%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.58%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.59%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.03%	91.11%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.62%	98.75%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.09%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6443510
• LOTUS: LTS0229312
• wikiData: Q77497723