7-Hydroxy-6-methoxydihydroflavonol

Details

• Internal ID: 647435e4-8ff6-4f4d-ab0c-233a9bef52b6
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids
• IUPAC Name: (2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
• SMILES (Canonical): COC1=C(C=C2C(=C1)C(=O)C(C(O2)C3=CC=CC=C3)O)O
• SMILES (Isomeric): COC1=C(C=C2C(=C1)C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)O
• InChI: InChI=1S/C16H14O5/c1-20-13-7-10-12(8-11(13)17)21-16(15(19)14(10)18)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1
• InChI Key: GUMFPOIJOXLCLA-JKSUJKDBSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28 g/mol
• Exact Mass: 286.08412354 g/mol
• Topological Polar Surface Area (TPSA): 76.00 Ų
• XlogP: 2.00

Synonyms

• 34050-66-3
• (2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
• CHEMBL254729
• CHEBI:182724
• DTXSID301345719
• AKOS040735051
• 7-Hydroxy-6-methoxydihydroflavonol, >=90% (LC/MS-UV)
• (2R,3R)-3,7-Dihydroxy-6-methoxy-2-phenylchroman-4-one

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	95.69%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.49%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.13%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.00%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.37%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.84%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	91.65%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.94%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.44%	89.00%
CHEMBL2535	P11166	Glucose transporter	85.63%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.71%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.63%	99.17%

Plants that contains it

• Dalbergia ecastaphyllum

Cross-Links

• PubChem: 44446832
• LOTUS: LTS0265734
• wikiData: Q105020268