Benzoyleugenol

Details

• Internal ID: 50ed2f16-92d8-42a1-bb56-d55aabfbfb51
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzophenones
• IUPAC Name: (2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-phenylmethanone
• SMILES (Canonical): COC1=CC(=CC(=C1O)C(=O)C2=CC=CC=C2)CC=C
• SMILES (Isomeric): COC1=CC(=CC(=C1O)C(=O)C2=CC=CC=C2)CC=C
• InChI: InChI=1S/C17H16O3/c1-3-7-12-10-14(17(19)15(11-12)20-2)16(18)13-8-5-4-6-9-13/h3-6,8-11,19H,1,7H2,2H3
• InChI Key: MRKBPQPAZNBFFC-UHFFFAOYSA-N
• Popularity: 20 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.31 g/mol
• Exact Mass: 268.109944368 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 4.50

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
CHEMBL1293249	Q13887	Kruppel-like factor 5	96.31%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	95.19%	95.50%
CHEMBL1255126	O15151	Protein Mdm4	94.31%	90.20%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.15%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.07%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.03%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.91%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.42%	99.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	90.15%	95.17%
CHEMBL2535	P11166	Glucose transporter	88.86%	98.75%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.72%	91.07%
CHEMBL4208	P20618	Proteasome component C5	82.62%	90.00%
CHEMBL221	P23219	Cyclooxygenase-1	82.12%	90.17%

Plants that contains it

• Hedychium coronarium

Cross-Links

• PubChem: 129638709
• LOTUS: LTS0207841
• wikiData: Q104399921