2,4,6,3',5'-Pentahydroxybenzophenone

Details

• Internal ID: ea412f4d-b5ea-4600-b7f0-24b7c7ee9e38
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzophenones
• IUPAC Name: (3,5-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
• SMILES (Canonical): C1=C(C=C(C=C1O)O)C(=O)C2=C(C=C(C=C2O)O)O
• SMILES (Isomeric): C1=C(C=C(C=C1O)O)C(=O)C2=C(C=C(C=C2O)O)O
• InChI: InChI=1S/C13H10O6/c14-7-1-6(2-8(15)3-7)13(19)12-10(17)4-9(16)5-11(12)18/h1-5,14-18H
• InChI Key: UQRUMZDBXRBEPM-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₀O₆
• Molecular Weight: 262.21 g/mol
• Exact Mass: 262.04773803 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: 2.00

Synonyms

• SCHEMBL9639010
• BDBM50327909
• 2,3',4,5',6-Pentahydroxybenzophenone
• 2,4,6,3',5'-Pentahydroxybenzophenone
• 2,4,6,3'',5''-pentahydroxybenzophenone
• J3.538.410C
• (3,5-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone
• (3,5-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL4158	P49327	Fatty acid synthase	8590 nM	IC50	PMID: 20817450

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.43%	91.11%
CHEMBL3194	P02766	Transthyretin	91.59%	90.71%
CHEMBL4208	P20618	Proteasome component C5	85.35%	90.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	83.62%	96.12%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.77%	99.17%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.21%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.03%	95.56%

Plants that contains it

• Aster bellidiastrum
• Caragana halodendron
• Davallia divaricata
• Dolomiaea souliei
• Eucalyptus camaldulensis
• Garcinia mangostana
• Garcinia pedunculata
• Ligularia vellerea
• Lonicera hypoleuca
• Nicotiana sylvestris
• Serpocaulon triseriale

Cross-Links

• PubChem: 19910294
• NPASS: NPC10926
• ChEMBL: CHEMBL1256380
• LOTUS: LTS0002649
• wikiData: Q105277420