8,9-Dihydro-12-hydroxysorbicillin

Details

• Internal ID: 2d027fd2-a44b-4b7b-950f-779dfa1266e6
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-(2,4-dihydroxy-3,5-dimethylphenyl)-6-hydroxyhex-4-en-1-one
• InChI: InChI=1S/C14H18O4/c1-9-8-11(14(18)10(2)13(9)17)12(16)6-4-3-5-7-15/h3,5,8,15,17-18H,4,6-7H2,1-2H3
• InChI Key: WGADBKFBBLVRKS-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.29 g/mol
• Exact Mass: 250.12050905 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 2.20

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.48%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.16%	99.17%
CHEMBL4208	P20618	Proteasome component C5	88.35%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.96%	95.56%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.43%	90.24%
CHEMBL2581	P07339	Cathepsin D	87.25%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	84.55%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.19%	89.34%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.12%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.48%	89.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 145720833
• LOTUS: LTS0112547
• wikiData: Q104200185