Tricin 7-O-glucoside

Details

• Internal ID: 186db4c1-9421-472d-a5f3-a3a27521fd0c
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
• IUPAC Name: 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• SMILES (Canonical): COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
• SMILES (Isomeric): COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
• InChI: InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3
• InChI Key: JGXFMIJHKASCIZ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₄O₁₂
• Molecular Weight: 492.40 g/mol
• Exact Mass: 492.12677620 g/mol
• Topological Polar Surface Area (TPSA): 185.00 Ų
• XlogP: 0.80

Synonyms

• 3',5'-Dimethoxytricetin 7-O-beta-D-glucopypranoside
• Tricin 7-O-glucoside
• 2,4-DICHLORO-6-(O-CHLOROPHENOXY)-S-TRIAZINE
• SCHEMBL22345059
• SCHEMBL23764741
• Flavone base + 3O, 2MeO, O-Hex

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	99.36%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.54%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	97.07%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.47%	89.00%
CHEMBL2581	P07339	Cathepsin D	93.74%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.59%	96.09%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	89.48%	96.21%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.00%	99.15%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.87%	86.92%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.40%	95.56%
CHEMBL3194	P02766	Transthyretin	88.17%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.74%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	86.72%	94.73%
CHEMBL3714130	P46095	G-protein coupled receptor 6	86.69%	97.36%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.57%	99.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.43%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.22%	95.89%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.99%	90.71%
CHEMBL220	P22303	Acetylcholinesterase	81.73%	94.45%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.37%	92.62%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.04%	95.89%

Plants that contains it

• Itoa orientalis
• Phoenix dactylifera
• Phoenix loureiroi var. loureiroi
• Phoenix rupicola
• Poa secunda subsp. juncifolia
• Ranunculus sieboldii
• Rhodiola rosea
• Salsola collina
• Sedum sarmentosum
• Setaria italica
• Turnera diffusa

Cross-Links

• PubChem: 13984469
• LOTUS: LTS0111978
• wikiData: Q105127764