5-Hydroxy-6,2'-dimethoxyflavone

Details

• Internal ID: e5f7641d-a771-48f0-91ae-ad001f1c4942
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 6-O-methylated flavonoids
• IUPAC Name: 5-hydroxy-6-methoxy-2-(2-methoxyphenyl)chromen-4-one
• SMILES (Canonical): COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC)O
• SMILES (Isomeric): COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC)O
• InChI: InChI=1S/C17H14O5/c1-20-12-6-4-3-5-10(12)15-9-11(18)16-13(22-15)7-8-14(21-2)17(16)19/h3-9,19H,1-2H3
• InChI Key: KTMCMVHTHBYQQS-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₅
• Molecular Weight: 298.29 g/mol
• Exact Mass: 298.08412354 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 3.30

Synonyms

• SCHEMBL3307078
• LMPK12110085

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	97.89%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.30%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.96%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.58%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.55%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.41%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.77%	89.00%
CHEMBL2535	P11166	Glucose transporter	89.82%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	89.32%	90.20%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.26%	99.23%
CHEMBL1951	P21397	Monoamine oxidase A	83.66%	91.49%
CHEMBL3194	P02766	Transthyretin	81.13%	90.71%

Plants that contains it

• Primula denticulata

Cross-Links

• PubChem: 14484691
• LOTUS: LTS0131687
• wikiData: Q105145858