4-(2,4,6-trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Details

• Internal ID: a78343f4-cfce-4091-b071-3c8392884886
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Epigallocatechins
• IUPAC Name: 4-(2,4,6-trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• InChI: InChI=1S/C21H18O10/c22-8-3-10(24)16(11(25)4-8)18-17-12(26)5-9(23)6-15(17)31-21(20(18)30)7-1-13(27)19(29)14(28)2-7/h1-6,18,20-30H
• InChI Key: FNEBVYZAXMQESG-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₁₈O₁₀
• Molecular Weight: 430.40 g/mol
• Exact Mass: 430.08999677 g/mol
• Topological Polar Surface Area (TPSA): 191.00 Ų
• XlogP: 1.40

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	98.92%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	93.54%	83.82%
CHEMBL1951	P21397	Monoamine oxidase A	91.20%	91.49%
CHEMBL3194	P02766	Transthyretin	88.41%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.13%	89.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	85.96%	96.12%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.17%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.37%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	82.36%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.37%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.06%	94.00%

Plants that contains it

• Leptarrhena pyrolifolia
• Lotus pedunculatus
• Psidium guajava

Cross-Links

• PubChem: 73191354
• LOTUS: LTS0138014
• wikiData: Q104998244