Amycofuran

Details

• Internal ID: 812519d3-73f3-41c8-afa4-0aeec0f9b530
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
• IUPAC Name: (2S,3R,4R,5R,6S)-2-[[(2R)-5-hydroxy-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]-6-methyloxane-3,4,5-triol
• SMILES (Canonical): CC=CC=CC1CC2=C(O1)C(=CC(=C2)O)OC3C(C(C(C(O3)C)O)O)O
• SMILES (Isomeric): C/C=C/C=C/[C@H]1CC2=C(O1)C(=CC(=C2)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O
• InChI: InChI=1S/C19H24O7/c1-3-4-5-6-13-8-11-7-12(20)9-14(18(11)25-13)26-19-17(23)16(22)15(21)10(2)24-19/h3-7,9-10,13,15-17,19-23H,8H2,1-2H3/b4-3+,6-5+/t10-,13-,15-,16+,17+,19-/m0/s1
• InChI Key: IXCFJQNYIPECMG-SCDWHHIESA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₇
• Molecular Weight: 364.40 g/mol
• Exact Mass: 364.15220310 g/mol
• Topological Polar Surface Area (TPSA): 109.00 Ų
• XlogP: 1.50

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.33%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.91%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.66%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.71%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	89.50%	94.73%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	89.15%	95.89%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.18%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.81%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.01%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.82%	92.94%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	86.31%	95.78%
CHEMBL4208	P20618	Proteasome component C5	86.13%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.84%	95.89%
CHEMBL3714130	P46095	G-protein coupled receptor 6	85.57%	97.36%
CHEMBL1163125	O60885	Bromodomain-containing protein 4	83.94%	97.31%
CHEMBL2581	P07339	Cathepsin D	81.49%	98.95%
CHEMBL3194	P02766	Transthyretin	80.12%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587450
• LOTUS: LTS0077785
• wikiData: Q77566351