Virescenoside R3

Details

• Internal ID: 13577fff-a1ee-4988-9cb9-af3a0a1cc592
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5S,6R)-6-[[(1S,2R,3R,4aS,4bS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,4b,7-tetramethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChI: InChI=1S/C33H54O13/c1-6-30(2)9-10-32(4)16(11-30)7-8-20-31(3,27(42)17(35)12-33(20,32)5)15-44-29-26(41)24(39)22(37)19(46-29)14-43-28-25(40)23(38)21(36)18(13-34)45-28/h6-7,17-29,34-42H,1,8-15H2,2-5H3/t17-,18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33+/m1/s1
• InChI Key: BCJWMXDKQZDJOV-HDXZBMLESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₃H₅₄O₁₃
• Molecular Weight: 658.80 g/mol
• Exact Mass: 658.35644177 g/mol
• Topological Polar Surface Area (TPSA): 219.00 Ų
• XlogP: -0.10

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.83%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.81%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	94.18%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.39%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.04%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.67%	100.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.88%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.47%	94.45%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	84.45%	95.83%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	83.63%	95.50%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.51%	95.89%
CHEMBL1937	Q92769	Histone deacetylase 2	82.90%	94.75%
CHEMBL2581	P07339	Cathepsin D	82.61%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.83%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	81.82%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.95%	95.56%
CHEMBL1977	P11473	Vitamin D receptor	80.84%	99.43%
CHEMBL218	P21554	Cannabinoid CB1 receptor	80.81%	96.61%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585286
• LOTUS: LTS0083694
• wikiData: Q77387531