(2,6-Dihydroxy-4-methoxyphenyl)(3,5-dihydroxyphenyl)methanone

Details

• Internal ID: c5f2e6a2-089a-48ef-b251-461f51042e2e
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzophenones
• IUPAC Name: (2,6-dihydroxy-4-methoxyphenyl)-(3,5-dihydroxyphenyl)methanone
• SMILES (Canonical): COC1=CC(=C(C(=C1)O)C(=O)C2=CC(=CC(=C2)O)O)O
• SMILES (Isomeric): COC1=CC(=C(C(=C1)O)C(=O)C2=CC(=CC(=C2)O)O)O
• InChI: InChI=1S/C14H12O6/c1-20-10-5-11(17)13(12(18)6-10)14(19)7-2-8(15)4-9(16)3-7/h2-6,15-18H,1H3
• InChI Key: SFMNMSZFHGJDAG-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₂O₆
• Molecular Weight: 276.24 g/mol
• Exact Mass: 276.06338810 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 2.40

Synonyms

• DTXSID70784542
• (2,6-Dihydroxy-4-methoxyphenyl)(3,5-dihydroxyphenyl)methanone

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	93.83%	91.11%
CHEMBL4208	P20618	Proteasome component C5	91.32%	90.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.17%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.17%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.59%	95.56%
CHEMBL2535	P11166	Glucose transporter	87.06%	98.75%
CHEMBL3194	P02766	Transthyretin	86.11%	90.71%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	84.75%	91.07%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.68%	99.15%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.87%	95.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.77%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.90%	94.00%

Plants that contains it

• Hypericum annulatum

Cross-Links

• PubChem: 71360772
• LOTUS: LTS0136806
• wikiData: Q82749774