Syringetin

Details

• Internal ID: 89793c00-014c-4914-a1f1-61ff9d078ef2
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
• IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
• SMILES (Canonical): COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
• SMILES (Isomeric): COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
• InChI: InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3
• InChI Key: UZMAPBJVXOGOFT-UHFFFAOYSA-N
• Popularity: 150 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₈
• Molecular Weight: 346.30 g/mol
• Exact Mass: 346.06886740 g/mol
• Topological Polar Surface Area (TPSA): 126.00 Ų
• XlogP: 1.80

Synonyms

• 4423-37-4
• 3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone
• 3',5'-O-Dimethylmyricetin
• CHEBI:18215
• 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one
• 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
• 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-
• J68JG79B9W
• 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
• 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone
• DIBOA trihexose
• UNII-J68JG79B9W
• SCHEMBL810981
• CHEMBL489142
• Myricetin-3',5'-dimethyl ether
• DTXSID60196074
• UZMAPBJVXOGOFT-UHFFFAOYSA-N
• HY-N8920
• BDBM50025603
• LMPK12112498
• MFCD00017449
• MYRICETIN-3,5-DIMETHYL ETHER
• MS-25319
• CS-0149371
• FT-0635283
• E88713
• 3,5-DIMETHOXY-3,5,7,4-TETRAHYDROXYFLAVONE
• Q3509026
• FLAVONE, 3,4,5,7-TETRAHYDROXY-3,5-DIMETHOXY-
• 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one

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	97.94%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.44%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.43%	94.00%
CHEMBL2581	P07339	Cathepsin D	92.26%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.50%	86.33%
CHEMBL3194	P02766	Transthyretin	91.19%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.09%	95.56%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	89.04%	98.11%
CHEMBL1929	P47989	Xanthine dehydrogenase	87.25%	96.12%
CHEMBL3401	O75469	Pregnane X receptor	87.04%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.59%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.80%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.38%	99.23%
CHEMBL2424	Q04760	Glyoxalase I	84.01%	91.67%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	83.39%	98.21%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	83.03%	94.42%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	81.99%	95.64%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.57%	99.15%
CHEMBL4208	P20618	Proteasome component C5	80.22%	90.00%

Plants that contains it

• Elegia tectorum
• Ginkgo biloba
• Loropetalum chinense
• Lysimachia congestiflora
• Nelumbo nucifera
• Pinus brutia
• Pinus halepensis

Cross-Links

• PubChem: 5281953
• NPASS: NPC28274
• ChEMBL: CHEMBL489142
• LOTUS: LTS0048042
• wikiData: Q3509026