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

Details

• Internal ID: c5d95520-79f9-48e7-aa27-796b28ccb6a9
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins
• IUPAC Name: (2S,3S)-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• InChI: InChI=1S/C15H14O7/c16-6-1-9(17)7-3-13(21)15(22-14(7)2-6)8-4-11(19)12(20)5-10(8)18/h1-2,4-5,13,15-21H,3H2/t13-,15-/m0/s1
• InChI Key: UVDNRKMZMPBBTJ-ZFWWWQNUSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₇
• Molecular Weight: 306.27 g/mol
• Exact Mass: 306.07395278 g/mol
• Topological Polar Surface Area (TPSA): 131.00 Ų
• XlogP: 0.00

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	98.30%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.04%	96.09%
CHEMBL217	P14416	Dopamine D2 receptor	88.14%	95.62%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	86.63%	93.40%
CHEMBL2581	P07339	Cathepsin D	86.50%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	85.66%	91.49%
CHEMBL1929	P47989	Xanthine dehydrogenase	85.05%	96.12%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.02%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.76%	95.56%
CHEMBL4208	P20618	Proteasome component C5	81.09%	90.00%

Plants that contains it

• Limonium gmelinii

Cross-Links

• PubChem: 162867703
• LOTUS: LTS0231823
• wikiData: Q105279768