Ammiol glucoside

Details

• Internal ID: 5bdbc8c6-71a8-4a8a-8dce-0ac5850fe05f
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones > Furanochromones
• IUPAC Name: 4,9-dimethoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furo[3,2-g]chromen-5-one
• SMILES (Canonical): COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)COC4C(C(C(C(O4)CO)O)O)O
• SMILES (Isomeric): COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
• InChI: InChI=1S/C20H22O11/c1-26-16-9-3-4-28-17(9)19(27-2)18-12(16)10(22)5-8(30-18)7-29-20-15(25)14(24)13(23)11(6-21)31-20/h3-5,11,13-15,20-21,23-25H,6-7H2,1-2H3/t11-,13-,14+,15-,20-/m1/s1
• InChI Key: CLABIQPMDJOSBJ-ZHQGELOASA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₁₁
• Molecular Weight: 438.40 g/mol
• Exact Mass: 438.11621151 g/mol
• Topological Polar Surface Area (TPSA): 157.00 Ų
• XlogP: -0.60

Synonyms

• L7QP4Q03Y2
• UNII-L7QP4Q03Y2
• 123715-08-2
• 5H-Furo(3,2-g)(1)benzopyran-5-one, 7-((beta-D-glucopyranosyloxy)methyl)-4,9-dimethoxy-
• RefChem:27544
• MEGxp0_000327
• ACon1_000805
• NCGC00169342-01
• BRD-K59845271-001-01-3
• 5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE, 7-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-4,9-DIMETHOXY-

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	98.52%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.28%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.77%	94.00%
CHEMBL2581	P07339	Cathepsin D	92.75%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.36%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	89.36%	94.73%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	88.60%	95.83%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.58%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.79%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.58%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.43%	89.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.46%	86.92%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.99%	92.62%

Plants that contains it

• Visnaga daucoides

Cross-Links

• PubChem: 14377805
• LOTUS: LTS0054969
• wikiData: Q104963103