Fomannosin

Details

• Internal ID: 1d2e689b-27e2-44cd-982b-9550955f4113
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
• IUPAC Name: (1S)-1-[(1R)-4,4-dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one
• InChI: InChI=1S/C15H18O4/c1-14(2)5-11(12(17)6-14)15-4-3-10(15)9(7-16)13(18)19-8-15/h3-4,11,16H,5-8H2,1-2H3/t11-,15+/m0/s1
• InChI Key: CKOLHOCKIPCVQL-XHDPSFHLSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30 g/mol
• Exact Mass: 262.12050905 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 1.30

Synonyms

• NQJ4FU7EA4
• NSC-106908
• 18885-59-1
• SCHEMBL14269368
• 3-Oxabicyclo[4.2.0]octa-5,7-dien-4-one, 1-[(1R)-4,4-dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-, (1S)-

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	97.03%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.37%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.98%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.87%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.25%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.38%	97.09%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	86.79%	96.77%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.55%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.53%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.46%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.05%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.14%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 15559303
• LOTUS: LTS0080135
• wikiData: Q104962634