Fendleryl B

Details

• Internal ID: b75eac0f-06ca-466f-8d38-497302a97421
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
• SMILES (Canonical): COC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)O)O
• SMILES (Isomeric): COC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)O)O
• InChI: InChI=1S/C19H14O6/c1-25-13-8-4-11(5-9-13)15-18(23)16(21)14(17(22)19(15)24)10-2-6-12(20)7-3-10/h2-9,20-21,24H,1H3
• InChI Key: NOHFZRAPPQBGOI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₄O₆
• Molecular Weight: 338.30 g/mol
• Exact Mass: 338.07903816 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.60

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.79%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.30%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.33%	94.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.08%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.75%	96.09%
CHEMBL1907	P15144	Aminopeptidase N	87.35%	93.31%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.19%	85.14%
CHEMBL242	Q92731	Estrogen receptor beta	85.89%	98.35%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.71%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.39%	86.33%
CHEMBL4208	P20618	Proteasome component C5	82.33%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590812
• LOTUS: LTS0054750
• wikiData: Q104179830