3-(p-Hydroxyphenyl)-4-hydroxy-5-(p-hydroxybenzylidene)-2(5h)-furanone

Details

• Internal ID: 76270702-261b-4306-8565-9d6ff2724ffc
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one
• SMILES (Canonical): C1=CC(=CC=C1C=C2C(=C(C(=O)O2)C3=CC=C(C=C3)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1C=C2C(=C(C(=O)O2)C3=CC=C(C=C3)O)O)O
• InChI: InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H
• InChI Key: BNNVVTQUWNGKPH-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₂O₅
• Molecular Weight: 296.27 g/mol
• Exact Mass: 296.06847348 g/mol
• Topological Polar Surface Area (TPSA): 87.00 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
CHEMBL242	Q92731	Estrogen receptor beta	94.07%	98.35%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.26%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.32%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.06%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.34%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.06%	89.00%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	86.83%	83.57%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.90%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	82.99%	94.73%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	82.20%	93.10%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 54676717
• LOTUS: LTS0125434
• wikiData: Q103816880