Antafumicin B

Details

• Internal ID: 49097104-1623-43d4-89df-2503e742312d
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: (3S,5S)-5-(3-acetyl-2,6-dihydroxyphenyl)-3-methoxyoxolan-2-one
• InChI: InChI=1S/C13H14O6/c1-6(14)7-3-4-8(15)11(12(7)16)9-5-10(18-2)13(17)19-9/h3-4,9-10,15-16H,5H2,1-2H3/t9-,10-/m0/s1
• InChI Key: FTMZAUPTWYKXKM-UWVGGRQHSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.25 g/mol
• Exact Mass: 266.07903816 g/mol
• Topological Polar Surface Area (TPSA): 93.10 Ų
• XlogP: 1.20

Synonyms

• CHEBI:200435
• (3S,5S)-5-(3-acetyl-2,6-dihydroxyphenyl)-3-methoxyoxolan-2-one

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	98.61%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.07%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.93%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.27%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.09%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.01%	94.00%
CHEMBL1951	P21397	Monoamine oxidase A	85.81%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.58%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.36%	99.15%
CHEMBL340	P08684	Cytochrome P450 3A4	84.10%	91.19%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.01%	89.00%
CHEMBL2581	P07339	Cathepsin D	80.64%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.34%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101650941
• LOTUS: LTS0094729
• wikiData: Q77278763