[(2R,4R,6S)-4,6-diacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]heptan-2-yl] acetate

Details

• Internal ID: ed674be4-5f49-41ef-8fb0-9d12d99dc67a
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives
• IUPAC Name: [(2R,4R,6S)-4,6-diacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]heptan-2-yl] acetate
• InChI: InChI=1S/C18H26O8/c1-11(23-12(2)19)8-16(24-13(3)20)10-17(25-14(4)21)9-15-6-5-7-18(22)26-15/h5,7,11,15-17H,6,8-10H2,1-4H3/t11-,15-,16-,17+/m1/s1
• InChI Key: ITYAANUIYPQQJM-AHBIMHKDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₆O₈
• Molecular Weight: 370.40 g/mol
• Exact Mass: 370.16276778 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 2.10

Synonyms

There are no found synonyms.

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	95.35%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.80%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.10%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.82%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.46%	94.45%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.09%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.83%	99.17%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.91%	93.56%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.54%	95.56%
CHEMBL4072	P07858	Cathepsin B	82.15%	93.67%
CHEMBL3401	O75469	Pregnane X receptor	82.11%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.41%	89.00%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	80.33%	95.71%

Plants that contains it

• Cryptocarya latifolia

Cross-Links

• PubChem: 162988652
• LOTUS: LTS0093159
• wikiData: Q105120361