Lysidiside M

Details

• Internal ID: 0247b242-4838-453b-a90a-b58f1d513958
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): C1C(C(C(C(O1)OC2=CC(=CC(=C2)O)C=CC3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
• SMILES (Isomeric): C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=CC(=C2)O)/C=C/C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
• InChI: InChI=1S/C25H30O12/c26-10-18-20(31)21(32)22(33)24(36-18)37-23-19(30)17(29)11-34-25(23)35-16-8-13(7-15(28)9-16)2-1-12-3-5-14(27)6-4-12/h1-9,17-33H,10-11H2/b2-1+/t17-,18-,19+,20-,21+,22-,23-,24+,25+/m1/s1
• InChI Key: KTSPZJPSJGQOIQ-YKULTYPDSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₃₀O₁₂
• Molecular Weight: 522.50 g/mol
• Exact Mass: 522.17372639 g/mol
• Topological Polar Surface Area (TPSA): 199.00 Ų
• XlogP: -0.20

Synonyms

• CHEMBL573408

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	99.59%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	97.34%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.53%	97.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.14%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.18%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	89.86%	94.73%
CHEMBL242	Q92731	Estrogen receptor beta	88.57%	98.35%
CHEMBL3194	P02766	Transthyretin	87.82%	90.71%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.77%	86.92%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.70%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.33%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.92%	86.33%
CHEMBL2581	P07339	Cathepsin D	86.90%	98.95%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	86.20%	95.83%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.04%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.60%	94.45%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	83.05%	89.67%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.24%	95.89%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.11%	91.71%
CHEMBL4208	P20618	Proteasome component C5	81.44%	90.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	81.35%	92.68%
CHEMBL1951	P21397	Monoamine oxidase A	80.83%	91.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.62%	99.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.30%	89.62%

Plants that contains it

• Lysidice brevicalyx

Cross-Links

• PubChem: 25155595
• LOTUS: LTS0136971
• wikiData: Q105145952