Decarestrictine N

Details

• Internal ID: 9f5d123c-7779-4887-956f-f7dcc8c4bfe9
• Taxonomy: Organoheterocyclic compounds > Oxocins
• IUPAC Name: (2R,4S,5Z,7R,8R)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
• InChI: InChI=1S/C10H16O5/c1-6-4-7(11)2-3-8(12)9(13)5-10(14)15-6/h2-3,6-9,11-13H,4-5H2,1H3/b3-2-/t6-,7-,8-,9-/m1/s1
• InChI Key: HWMMWMJBUOCCFZ-PCITUYGISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O₅
• Molecular Weight: 216.23 g/mol
• Exact Mass: 216.09977361 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: -0.80

Synonyms

• 147705-04-2
• (2R,4S,5Z,7R,8R)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
• 2H-Oxecin-2-one, 3,4,5,8,9,10-hexahydro-4,5,8-trihydroxy-10-methyl-, (4R-(4R*,5R*,6E,8S*,10R*))-

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
CHEMBL2581	P07339	Cathepsin D	92.44%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.29%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.15%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.20%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.39%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.54%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.33%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.81%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.27%	99.23%
CHEMBL1951	P21397	Monoamine oxidase A	80.83%	91.49%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.53%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6443670
• LOTUS: LTS0080217
• wikiData: Q105034718