1-(2,4,6-Trihydroxyphenyl)icosa-5,8,11,14-tetraen-1-one

Details

• Internal ID: cb718f2c-69d5-4e8b-a49f-04c8d92d42e4
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-(2,4,6-trihydroxyphenyl)icosa-5,8,11,14-tetraen-1-one
• InChI: InChI=1S/C26H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-24(29)20-22(27)21-25(26)30/h6-7,9-10,12-13,15-16,20-21,27,29-30H,2-5,8,11,14,17-19H2,1H3
• InChI Key: YTHCLWOOCGCXRD-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₆O₄
• Molecular Weight: 412.60 g/mol
• Exact Mass: 412.26135963 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 7.60

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	97.49%	99.17%
CHEMBL2581	P07339	Cathepsin D	97.05%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.58%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.06%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.37%	91.11%
CHEMBL230	P35354	Cyclooxygenase-2	90.19%	89.63%
CHEMBL1781	P11387	DNA topoisomerase I	85.71%	97.00%
CHEMBL3401	O75469	Pregnane X receptor	84.30%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.38%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.12%	95.56%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.77%	96.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.33%	89.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163065649
• LOTUS: LTS0224692
• wikiData: Q104202054