astragaloside VII

Details

• Internal ID: 976d806c-f4a4-41df-b5c4-c63203eb640d
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins > Cucurbitacin glycosides
• IUPAC Name: 2-(hydroxymethyl)-6-[[14-hydroxy-7,7,12,16-tetramethyl-15-[2-methyl-5-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxolan-2-yl]-6-(3,4,5-trihydroxyoxan-2-yl)oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
• InChI: InChI=1S/C47H78O19/c1-41(2)26(64-38-33(57)28(52)21(51)18-60-38)9-11-47-19-46(47)13-12-43(5)36(45(7)10-8-27(65-45)42(3,4)66-40-35(59)32(56)30(54)24(17-49)63-40)20(50)15-44(43,6)25(46)14-22(37(41)47)61-39-34(58)31(55)29(53)23(16-48)62-39/h20-40,48-59H,8-19H2,1-7H3
• InChI Key: YDELUYNKSQLCJK-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₇H₇₈O₁₉
• Molecular Weight: 947.10 g/mol
• Exact Mass: 946.51373025 g/mol
• Topological Polar Surface Area (TPSA): 307.00 Ų
• XlogP: -0.30

Synonyms

• 84687-46-7

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	98.74%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.69%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	96.12%	96.61%
CHEMBL240	Q12809	HERG	95.17%	89.76%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.82%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	94.52%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.92%	96.09%
CHEMBL259	P32245	Melanocortin receptor 4	91.79%	95.38%
CHEMBL220	P22303	Acetylcholinesterase	89.54%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.10%	86.33%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	87.74%	96.21%
CHEMBL3589	P55263	Adenosine kinase	86.90%	98.05%
CHEMBL5888	Q99558	Mitogen-activated protein kinase kinase kinase 14	86.70%	100.00%
CHEMBL2996	Q05655	Protein kinase C delta	86.27%	97.79%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.01%	97.14%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.56%	96.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.10%	100.00%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	84.93%	95.50%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.68%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.43%	94.45%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	82.08%	92.88%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	82.05%	90.24%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	82.01%	83.57%
CHEMBL1977	P11473	Vitamin D receptor	81.83%	99.43%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.43%	92.62%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.32%	92.94%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	81.14%	96.77%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.96%	98.75%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.91%	91.24%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.66%	91.03%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.54%	91.07%
CHEMBL2095194	P08709	Coagulation factor VII/tissue factor	80.51%	99.17%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	80.38%	100.00%

Plants that contains it

• Astragalus condensatus
• Astragalus dissectus
• Astragalus flavescens
• Astragalus flexus
• Astragalus trimestris

Cross-Links

• PubChem: 3752972
• LOTUS: LTS0129972
• wikiData: Q105346697