Lysidiside Q

Details

• Internal ID: 6913bfb4-18d5-4ed5-b984-703c18513eac
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
• SMILES (Canonical): CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3)O)C=CC4=CC=C(C=C4)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)O
• SMILES (Isomeric): C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC(=C3)O)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C32H42O16/c1-13-21(35)24(38)27(41)30(44-13)43-12-20-23(37)26(40)29(48-31-28(42)25(39)22(36)14(2)45-31)32(47-20)46-19-10-16(9-18(34)11-19)4-3-15-5-7-17(33)8-6-15/h3-11,13-14,20-42H,12H2,1-2H3/b4-3+/t13-,14-,20+,21-,22-,23+,24+,25+,26-,27+,28+,29+,30+,31-,32+/m0/s1
• InChI Key: OBHAZHJCJUWHRN-IVUAMTHTSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₂H₄₂O₁₆
• Molecular Weight: 682.70 g/mol
• Exact Mass: 682.24728525 g/mol
• Topological Polar Surface Area (TPSA): 258.00 Ų
• XlogP: -1.40

Synonyms

• CHEMBL575147

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	99.26%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	96.52%	95.93%
CHEMBL1951	P21397	Monoamine oxidase A	95.82%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	95.54%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.29%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.31%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.98%	89.00%
CHEMBL3714130	P46095	G-protein coupled receptor 6	91.93%	97.36%
CHEMBL2581	P07339	Cathepsin D	91.00%	98.95%
CHEMBL242	Q92731	Estrogen receptor beta	90.74%	98.35%
CHEMBL3194	P02766	Transthyretin	89.85%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.69%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.90%	95.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	86.72%	95.89%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	86.42%	83.57%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.21%	95.89%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.35%	91.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.27%	99.17%
CHEMBL4208	P20618	Proteasome component C5	81.41%	90.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	80.08%	92.68%

Plants that contains it

• Lysidice brevicalyx

Cross-Links

• PubChem: 25155859
• LOTUS: LTS0050865
• wikiData: Q105189003