2-deoxy-sohirnone C

Details

• Internal ID: 8571b54a-8969-454c-bc02-f3a667d43c7e
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: (E)-1-(3,4-dihydroxy-2,5-dimethylphenyl)hex-4-en-1-one
• SMILES (Canonical): CC=CCCC(=O)C1=C(C(=C(C(=C1)C)O)O)C
• SMILES (Isomeric): C/C=C/CCC(=O)C1=C(C(=C(C(=C1)C)O)O)C
• InChI: InChI=1S/C14H18O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)14(17)10(11)3/h4-5,8,16-17H,6-7H2,1-3H3/b5-4+
• InChI Key: NLNFIVHAUREMRW-SNAWJCMRSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29 g/mol
• Exact Mass: 234.125594432 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 2.90

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.88%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.48%	98.95%
CHEMBL4208	P20618	Proteasome component C5	89.24%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.61%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.27%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	87.11%	94.73%
CHEMBL3492	P49721	Proteasome Macropain subunit	84.90%	90.24%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.17%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146684493
• LOTUS: LTS0225191
• wikiData: Q105181458