Allivictoside F

Details

• Internal ID: 3c560295-1b55-4002-b798-100d41d88d32
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
• IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChI: InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)41)3-9-25(43)55-35-31(48)28(45)24(14-39)54-37(35)56-34-29(46)26-20(42)11-18(51-36-32(49)30(47)27(44)23(13-38)53-36)12-22(26)52-33(34)16-4-6-17(40)7-5-16/h2-12,23-24,27-28,30-32,35-42,44-45,47-49H,13-14H2,1H3/b9-3+/t23-,24-,27-,28-,30+,31+,32-,35-,36-,37+/m1/s1
• InChI Key: SLIBKVWISCHMPI-FOPGHQQOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₇H₃₈O₁₉
• Molecular Weight: 786.70 g/mol
• Exact Mass: 786.20072898 g/mol
• Topological Polar Surface Area (TPSA): 301.00 Ų
• XlogP: 1.20

Synonyms

• ((2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-3-yl)oxy-6-(hydroxymethyl)oxan-3-yl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• RefChem:110786
• CHEMBL2206202

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	99.71%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	98.30%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	97.27%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.64%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	95.08%	96.00%
CHEMBL3194	P02766	Transthyretin	94.65%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.06%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.84%	85.14%
CHEMBL1951	P21397	Monoamine oxidase A	93.74%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.21%	95.56%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	91.58%	95.64%
CHEMBL2581	P07339	Cathepsin D	91.34%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.08%	94.45%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.31%	99.15%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.98%	97.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.79%	94.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.70%	95.50%
CHEMBL3401	O75469	Pregnane X receptor	87.70%	94.73%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.97%	86.92%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	85.29%	95.78%
CHEMBL4208	P20618	Proteasome component C5	85.22%	90.00%
CHEMBL3922	P50579	Methionine aminopeptidase 2	83.17%	97.28%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.11%	95.89%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	82.60%	96.21%
CHEMBL242	Q92731	Estrogen receptor beta	81.91%	98.35%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.74%	94.33%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	80.18%	80.78%

Plants that contains it

• Allium victorialis

Cross-Links

• PubChem: 71459648
• LOTUS: LTS0065507
• wikiData: Q105255338