Dihydrotamarixetin

Details

• Internal ID: 6b569c14-2d8b-4d17-a1b0-39a6fb852ffe
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids
• IUPAC Name: 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
• SMILES (Isomeric): COC1=C(C=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
• InChI: InChI=1S/C16H14O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3
• InChI Key: KQNGHARGJDXHKF-UHFFFAOYSA-N
• Popularity: 16 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₇
• Molecular Weight: 318.28 g/mol
• Exact Mass: 318.07395278 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 1.80

Synonyms

• 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
• 4'-O-Methyldihydroquercetin; Blumeatin A
• taxifolin 4'-methyl ether
• CHEMBL451709
• SCHEMBL16887881
• CHEBI:193113
• 3,5,7,3'-tetrahydroxy-4'-methoxyflavanone
• B0005-476478
• 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.35%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.58%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.19%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.21%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.87%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.02%	94.00%
CHEMBL1951	P21397	Monoamine oxidase A	89.83%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.37%	99.23%
CHEMBL2535	P11166	Glucose transporter	88.39%	98.75%
CHEMBL2581	P07339	Cathepsin D	87.99%	98.95%
CHEMBL3194	P02766	Transthyretin	86.59%	90.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.83%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.08%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.20%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	82.07%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.38%	97.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.13%	93.99%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.00%	99.15%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.00%	97.14%

Plants that contains it

• Blumea balsamifera
• Blumea fistulosa
• Canarium album
• Chromolaena odorata

Cross-Links

• PubChem: 482576
• LOTUS: LTS0240575
• wikiData: Q105144636