Trichosorbicillin G

Details

• Internal ID: a955ff70-0983-4cef-ab89-106553891042
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 1-(2,4-dihydroxy-5-methylphenyl)-6-hydroxyhexan-1-one
• SMILES (Canonical): CC1=CC(=C(C=C1O)O)C(=O)CCCCCO
• SMILES (Isomeric): CC1=CC(=C(C=C1O)O)C(=O)CCCCCO
• InChI: InChI=1S/C13H18O4/c1-9-7-10(13(17)8-12(9)16)11(15)5-3-2-4-6-14/h7-8,14,16-17H,2-6H2,1H3
• InChI Key: KLBWXKFWQHALGU-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₈O₄
• Molecular Weight: 238.28 g/mol
• Exact Mass: 238.12050905 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 2.10

Synonyms

• 1-(2,4-dihydroxy-5-methylphenyl)-6-hydroxyhexan-1-one
• RefChem:191290
• CHEMBL4582945
• CHEBI:223413

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	96.16%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.13%	99.17%
CHEMBL2581	P07339	Cathepsin D	92.00%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.16%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	87.42%	94.73%
CHEMBL4208	P20618	Proteasome component C5	87.15%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.96%	95.56%
CHEMBL3492	P49721	Proteasome Macropain subunit	83.25%	90.24%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 145720847
• LOTUS: LTS0022499
• wikiData: Q104170385