(2R,14Z,16R,20Z)-tricosa-14,20-dien-3,5,10,12,22-pentayne-1,2,16-triol

Details

• Internal ID: 429cb7e5-5b67-4581-92a7-4ce217d5f352
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: (2R,14Z,16R,20Z)-tricosa-14,20-dien-3,5,10,12,22-pentayne-1,2,16-triol
• SMILES (Canonical): C#CC=CCCCC(C=CC#CC#CCCCC#CC#CC(CO)O)O
• SMILES (Isomeric): C#C/C=C\CCC[C@H](/C=C\C#CC#CCCCC#CC#C[C@H](CO)O)O
• InChI: InChI=1S/C23H24O3/c1-2-3-4-12-15-18-22(25)19-16-13-10-8-6-5-7-9-11-14-17-20-23(26)21-24/h1,3-4,16,19,22-26H,5,7,9,12,15,18,21H2/b4-3-,19-16-/t22-,23-/m1/s1
• InChI Key: LJVSFZWRHGCGBU-GYUHOMOYSA-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	94.58%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.38%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.12%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.44%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	82.50%	90.17%
CHEMBL2581	P07339	Cathepsin D	82.37%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.39%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162864476
• LOTUS: LTS0184637
• wikiData: Q105152846