(2R,14Z,19S,20E)-tricosa-14,20-dien-3,5,10,12,22-pentayne-1,2,19-triol

Details

• Internal ID: cd027ab6-6e19-4de2-8d77-57890ad02751
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: (2R,14Z,19S,20E)-tricosa-14,20-dien-3,5,10,12,22-pentayne-1,2,19-triol
• InChI: InChI=1S/C23H24O3/c1-2-3-18-22(25)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23(26)21-24/h1,3,10,12,18,22-26H,7,9,11,14,16,19,21H2/b12-10-,18-3+/t22-,23-/m1/s1
• InChI Key: MCGQEEDLOVPSRE-DQGURAQRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₄O₃
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.17254462 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 3.20

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
CHEMBL3060	Q9Y345	Glycine transporter 2	93.98%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.55%	96.09%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	85.44%	98.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.13%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.56%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.43%	91.11%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	82.92%	97.47%
CHEMBL2039	P27338	Monoamine oxidase B	82.63%	92.51%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	82.48%	92.86%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	81.26%	97.29%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163083933
• LOTUS: LTS0074588
• wikiData: Q105161181