Lanceoloside A

Details

• Internal ID: 421d432c-75e1-4ee5-9b8a-3ca55efd13e3
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: [(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 4-hydroxybenzoate
• SMILES (Canonical): C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)O)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1C(=O)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC3=CC=C(C=C3)O)O)O)O)O
• InChI: InChI=1S/C19H20O9/c20-11-3-1-10(2-4-11)18(25)26-9-14-15(22)16(23)17(24)19(28-14)27-13-7-5-12(21)6-8-13/h1-8,14-17,19-24H,9H2/t14-,15-,16+,17-,19-/m0/s1
• InChI Key: FTFZXPBVBBJTHV-LVEJAMMSSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₉
• Molecular Weight: 392.40 g/mol
• Exact Mass: 392.11073221 g/mol
• Topological Polar Surface Area (TPSA): 146.00 Ų
• XlogP: 0.60

Synonyms

• 63555-02-2

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	94.51%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.43%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.93%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.81%	97.09%
CHEMBL4208	P20618	Proteasome component C5	90.28%	90.00%
CHEMBL2179	P04062	Beta-glucocerebrosidase	88.34%	85.31%
CHEMBL226	P30542	Adenosine A1 receptor	87.72%	95.93%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.60%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	86.04%	94.73%
CHEMBL3437	Q16853	Amine oxidase, copper containing	85.61%	94.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.65%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.38%	94.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	82.29%	95.64%
CHEMBL3891	P07384	Calpain 1	82.19%	93.04%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.67%	95.89%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	81.46%	85.00%
CHEMBL3194	P02766	Transthyretin	80.04%	90.71%

Plants that contains it

• Lophira lanceolata
• Ochna afzelii

Cross-Links

• PubChem: 133556315
• LOTUS: LTS0172211
• wikiData: Q105001030