(2S,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one

Details

• Internal ID: 56471b6c-2ccb-4378-bcfe-7b5a8d898059
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones > Flavanonols
• IUPAC Name: (2S,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): C1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
• SMILES (Isomeric): C1=CC=C(C=C1)[C@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
• InChI: InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15-/m0/s1
• InChI Key: SUYJZKRQHBQNCA-GJZGRUSLSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₅
• Molecular Weight: 272.25 g/mol
• Exact Mass: 272.06847348 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 2.20

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	97.69%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.75%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	92.01%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.57%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.58%	89.00%
CHEMBL2581	P07339	Cathepsin D	88.83%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.84%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.44%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	84.55%	94.73%
CHEMBL3194	P02766	Transthyretin	80.64%	90.71%

Plants that contains it

• Populus laurifolia

Cross-Links

• PubChem: 46886746
• LOTUS: LTS0120962
• wikiData: Q105261668