(6Z,9R,10E,12Z,15Z)-9-hydroxy-1-(2,4,6-trihydroxyphenyl)octadeca-6,10,12,15-tetraen-1-one

Details

• Internal ID: 7a4299a3-8312-4fe1-a9b1-adc2038c95a7
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: (6Z,9R,10E,12Z,15Z)-9-hydroxy-1-(2,4,6-trihydroxyphenyl)octadeca-6,10,12,15-tetraen-1-one
• InChI: InChI=1S/C24H32O5/c1-2-3-4-5-6-8-11-14-19(25)15-12-9-7-10-13-16-21(27)24-22(28)17-20(26)18-23(24)29/h3-4,6,8-9,11-12,14,17-19,25-26,28-29H,2,5,7,10,13,15-16H2,1H3/b4-3-,8-6-,12-9-,14-11+/t19-/m0/s1
• InChI Key: IOUZORJQGVEPBC-IAUCYMKRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₂O₅
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.22497412 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: 5.40

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	97.65%	99.17%
CHEMBL2581	P07339	Cathepsin D	97.50%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.66%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.88%	91.11%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.79%	97.21%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.82%	95.56%
CHEMBL4208	P20618	Proteasome component C5	83.45%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.45%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.29%	96.00%
CHEMBL236	P41143	Delta opioid receptor	81.04%	99.35%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.69%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 23427026
• LOTUS: LTS0085947
• wikiData: Q105116913