Glaucoside A

Details

• Internal ID: 133759f5-7902-4518-a368-de6fa99a90a8
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
• InChI: InChI=1S/C28H40O9/c1-14-25(30)21(32-4)10-23(35-14)36-20-9-16-6-7-17-18(27(16,2)11-19(20)29)8-5-15-12-33-28(3)24(15)22(13-34-28)37-26(17)31/h6,12,14,17-25,29-30H,5,7-11,13H2,1-4H3/t14-,17-,18+,19-,20-,21-,22-,23+,24-,25-,27+,28+/m1/s1
• InChI Key: VBSDZUADEVYQKN-YEAUGEPOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₄₀O₉
• Molecular Weight: 520.60 g/mol
• Exact Mass: 520.26723285 g/mol
• Topological Polar Surface Area (TPSA): 113.00 Ų
• XlogP: 1.50

Synonyms

• 81474-91-1
• HY-N11104
• AKOS040763486
• FS-8384
• CS-0638868

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.60%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.85%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.31%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.25%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.90%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.89%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.68%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.00%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.10%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.01%	95.89%
CHEMBL2581	P07339	Cathepsin D	87.86%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.44%	97.25%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.66%	97.14%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	86.35%	96.77%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.91%	95.89%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.03%	95.50%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	84.48%	97.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.34%	94.00%
CHEMBL226	P30542	Adenosine A1 receptor	84.25%	95.93%
CHEMBL5255	O00206	Toll-like receptor 4	82.91%	92.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.12%	86.33%

Plants that contains it

• Vincetoxicum amplexicaule

Cross-Links

• PubChem: 102406149
• LOTUS: LTS0132975
• wikiData: Q105283465