2-(Hydroxymethyl)-6-[[4-(hydroxymethyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enyl]oxy]oxane-3,4,5-triol

Details

• Internal ID: c9e2f4bb-b58c-4a45-ad58-1d6ee5cb1a9a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
• IUPAC Name: 2-(hydroxymethyl)-6-[[4-(hydroxymethyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enyl]oxy]oxane-3,4,5-triol
• InChI: InChI=1S/C16H26O7/c1-16(2)8-4-9(16)10(3-7(8)5-17)22-15-14(21)13(20)12(19)11(6-18)23-15/h3,8-15,17-21H,4-6H2,1-2H3
• InChI Key: JEQIDQCYBGSUNF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₇
• Molecular Weight: 330.37 g/mol
• Exact Mass: 330.16785316 g/mol
• Topological Polar Surface Area (TPSA): 120.00 Ų
• XlogP: -1.30

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.53%	91.11%
CHEMBL2996	Q05655	Protein kinase C delta	95.98%	97.79%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.78%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.44%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	88.56%	95.93%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.93%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.73%	97.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.06%	95.89%
CHEMBL4208	P20618	Proteasome component C5	80.86%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.44%	86.33%

Plants that contains it

• Cineraria erodioides

Cross-Links

• PubChem: 73815113
• LOTUS: LTS0135836
• wikiData: Q105126344