Sphydrofuran

Details

• Internal ID: 41d2d633-fba3-4d7c-bfe5-7dcd22c921d9
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides
• IUPAC Name: (3R,4S)-8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol
• SMILES (Canonical): CC1(CC2(CO1)C(C(CO2)O)O)O
• SMILES (Isomeric): CC1(CC2(CO1)[C@H]([C@@H](CO2)O)O)O
• InChI: InChI=1S/C8H14O5/c1-7(11)3-8(4-13-7)6(10)5(9)2-12-8/h5-6,9-11H,2-4H2,1H3/t5-,6+,7?,8?/m1/s1
• InChI Key: GEMQYLVRMCCZID-NYOFMCRDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₄O₅
• Molecular Weight: 190.19 g/mol
• Exact Mass: 190.08412354 g/mol
• Topological Polar Surface Area (TPSA): 79.20 Ų
• XlogP: -1.90

Synonyms

• 11072-19-8
• (3r,4s)-8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol
• 2-Methyl-4-(glyceryl)furan
• DTXSID70911836
• 8-Methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol

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	96.19%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.32%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.02%	94.45%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.82%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.93%	97.09%
CHEMBL2581	P07339	Cathepsin D	80.63%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.39%	100.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.26%	85.14%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 192871
• LOTUS: LTS0078429
• wikiData: Q82882044