(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

Details

• Internal ID: aeb82b54-870f-4444-89f0-ed84e3b9e57e
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
• IUPAC Name: (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
• SMILES (Canonical): C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O
• SMILES (Isomeric): C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O
• InChI: InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m1/s1
• InChI Key: QBLQLKNOKUHRCH-CYBMUJFWSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.25 g/mol
• Exact Mass: 288.06338810 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 2.00

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:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1973	P14679	Tyrosinase	980 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.12%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.93%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.39%	95.56%
CHEMBL1929	P47989	Xanthine dehydrogenase	92.32%	96.12%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	90.50%	93.40%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.37%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.01%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.30%	96.09%
CHEMBL217	P14416	Dopamine D2 receptor	87.94%	95.62%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	87.36%	83.14%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.18%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.89%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.79%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.05%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.75%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.58%	97.09%
CHEMBL4208	P20618	Proteasome component C5	80.58%	90.00%
CHEMBL3194	P02766	Transthyretin	80.48%	90.71%

Plants that contains it

• Artocarpus lacucha
• Ficus formosana
• Maclura tinctoria

Cross-Links

• PubChem: 26213324
• LOTUS: LTS0160512
• wikiData: Q105217900