Maracin A

Details

• Internal ID: 60091b2e-6b1f-424e-a039-968e0216c196
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Straight chain fatty acids
• IUPAC Name: (E)-5-[(5E,8E,11Z)-tetradeca-5,8,11,13-tetraen-1-ynoxy]pent-4-enoic acid
• SMILES (Canonical): C=CC=CCC=CCC=CCCC#COC=CCCC(=O)O
• SMILES (Isomeric): C=C/C=C\C/C=C/C/C=C/CCC#CO/C=C/CCC(=O)O
• InChI: InChI=1S/C19H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-22-18-15-13-16-19(20)21/h2-4,6-7,9-10,15,18H,1,5,8,11-13,16H2,(H,20,21)/b4-3-,7-6+,10-9+,18-15+
• InChI Key: HNCZZAFOQUEHGF-APDSTEBESA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₃
• Molecular Weight: 300.40 g/mol
• Exact Mass: 300.17254462 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 4.90

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	93.74%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.42%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	88.32%	90.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.00%	86.33%
CHEMBL1255126	O15151	Protein Mdm4	83.71%	90.20%
CHEMBL2581	P07339	Cathepsin D	82.71%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.58%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.65%	91.11%
CHEMBL1781	P11387	DNA topoisomerase I	81.28%	97.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10017689
• LOTUS: LTS0175109
• wikiData: Q77491012