4',7-Dihydroxyflavanol

Details

• Internal ID: f7c275a4-bf63-4ccd-ab0c-7e786774e046
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavan-3-ols
• IUPAC Name: 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
• SMILES (Canonical): C1C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)O
• SMILES (Isomeric): C1C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)O
• InChI: InChI=1S/C15H14O4/c16-11-4-1-9(2-5-11)15-13(18)7-10-3-6-12(17)8-14(10)19-15/h1-6,8,13,15-18H,7H2
• InChI Key: RHYGXRGFSFQNLC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₄
• Molecular Weight: 258.27 g/mol
• Exact Mass: 258.08920892 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: 2.10

Synonyms

• 4',7-dihydroxyflavanol
• SCHEMBL16150544
• CHEBI:184817
• Q5615369
• 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

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	98.35%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	94.47%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.01%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.47%	97.09%
CHEMBL217	P14416	Dopamine D2 receptor	87.81%	95.62%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.31%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	84.78%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.56%	95.56%
CHEMBL2581	P07339	Cathepsin D	82.24%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.16%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.53%	89.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.30%	95.89%

Plants that contains it

• Habranthus brachyandrus

Cross-Links

• PubChem: 71308214
• LOTUS: LTS0141589
• wikiData: Q105236707