15-Hydroxy-1-(2,4,6-trihydroxyphenyl)-5Z,8Z,11Z,13E,17Z-eicosapentaen-1-one

Details

• Internal ID: 39ada6cb-202b-4b2e-9ea1-6e9a791b23d8
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: (5Z,8Z,11Z,13E,17Z)-15-hydroxy-1-(2,4,6-trihydroxyphenyl)icosa-5,8,11,13,17-pentaen-1-one
• SMILES (Canonical): CCC=CCC(C=CC=CCC=CCC=CCCCC(=O)C1=C(C=C(C=C1O)O)O)O
• SMILES (Isomeric): CC/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CCCC(=O)C1=C(C=C(C=C1O)O)O)O
• InChI: InChI=1S/C26H34O5/c1-2-3-13-16-21(27)17-14-11-9-7-5-4-6-8-10-12-15-18-23(29)26-24(30)19-22(28)20-25(26)31/h3-5,8-11,13-14,17,19-21,27-28,30-31H,2,6-7,12,15-16,18H2,1H3/b5-4-,10-8-,11-9-,13-3-,17-14+
• InChI Key: UDCSJICRFCCATA-XWJJKCKWSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₄O₅
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.24062418 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: 5.80

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
CHEMBL2581	P07339	Cathepsin D	96.64%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.46%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.09%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.38%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.31%	86.33%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.54%	97.21%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.24%	95.56%
CHEMBL4208	P20618	Proteasome component C5	80.97%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139588161
• LOTUS: LTS0122353
• wikiData: Q105270302