CID 101451497

Details

• Internal ID: 9b8245f7-f072-423a-993a-a02653c57e77
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
• InChI: InChI=1S/C59H82O21/c1-24-13-30-7-9-34-25(2)14-32(66-34)11-12-58-55(64)59(65)54(80-58)53-52(79-59)51(78-58)50-35(70-53)10-8-31(68-50)15-45(63)73-49-29(6)48-40(69-39(49)17-36(67-30)28(24)5)18-38-42(72-48)22-57(74-38)23-43-47(77-57)27(4)21-56(76-43)20-26(3)46-41(75-56)16-33(60)37(71-46)19-44(61)62/h24,26-27,29-43,46-55,60,64-65H,2,5,7-23H2,1,3-4,6H3,(H,61,62)/t24-,26+,27+,29+,30+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40?,41+,42-,43?,46+,47?,48+,49-,50+,51+,52+,53-,54-,55+,56-,57+,58-,59+/m1/s1
• InChI Key: NMWGUXUJLUPRSU-LZODVCNKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₉H₈₂O₂₁
• Molecular Weight: 1127.30 g/mol
• Exact Mass: 1126.53485962 g/mol
• Topological Polar Surface Area (TPSA): 254.00 Ų
• XlogP: 2.30

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.15%	85.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.53%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.77%	96.09%
CHEMBL1902	P62942	FK506-binding protein 1A	92.30%	97.05%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.89%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.55%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.39%	91.11%
CHEMBL299	P17252	Protein kinase C alpha	88.12%	98.03%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	87.99%	97.33%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	87.76%	93.04%
CHEMBL218	P21554	Cannabinoid CB1 receptor	87.36%	96.61%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.10%	89.00%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	85.03%	95.50%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.69%	89.34%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.85%	95.89%
CHEMBL2581	P07339	Cathepsin D	81.56%	98.95%
CHEMBL1881	P43116	Prostanoid EP2 receptor	81.18%	93.00%
CHEMBL3401	O75469	Pregnane X receptor	80.66%	94.73%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.59%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101451497
• LOTUS: LTS0205524
• wikiData: Q105181998