4',5,7,8-Tetra-hydroxyflavanonol

Details

• Internal ID: ffda599d-b053-4b6a-9d64-3e92e827d487
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones > Flavanonols
• IUPAC Name: 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
• InChI: InChI=1S/C15H12O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,13-14,16-19,21H
• InChI Key: YOTJHIQKUFOLIM-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₇
• Molecular Weight: 304.25 g/mol
• Exact Mass: 304.05830272 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: 1.50

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	98.80%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	93.98%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.61%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.28%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	87.40%	94.73%
CHEMBL3194	P02766	Transthyretin	85.84%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.18%	99.15%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.76%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.52%	97.09%
CHEMBL2581	P07339	Cathepsin D	82.66%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.19%	94.00%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	81.82%	90.93%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.13%	86.33%

Plants that contains it

• Calluna vulgaris
• Rhazya stricta

Cross-Links

• PubChem: 11722549
• LOTUS: LTS0106733
• wikiData: Q105241560