Syringetin-3-o-galactoside

Details

• Internal ID: 8382e8a1-93d1-4edf-aac8-a8223f11b549
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• SMILES (Canonical): COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O
• SMILES (Isomeric): COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O
• InChI: InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3/t14-,17+,19+,20-,23?/m0/s1
• InChI Key: JMFWYRWPJVEZPV-JYNQMEODSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₄O₁₃
• Molecular Weight: 508.40 g/mol
• Exact Mass: 508.12169082 g/mol
• Topological Polar Surface Area (TPSA): 205.00 Ų
• XlogP: 0.70

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	99.18%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.49%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.61%	94.00%
CHEMBL2581	P07339	Cathepsin D	95.50%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.08%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.96%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.24%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.03%	86.33%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	89.97%	95.64%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.17%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	89.04%	94.73%
CHEMBL3194	P02766	Transthyretin	85.05%	90.71%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.47%	86.92%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.52%	96.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.76%	92.62%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	80.58%	96.21%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.51%	99.15%

Plants that contains it

• Lysimachia nummularia

Cross-Links

• PubChem: 133564577
• LOTUS: LTS0097754
• wikiData: Q105131363