6-Hydroxy-1,7-diphenylhept-4-en-3-one

Details

• Internal ID: 20126331-ad2b-4850-8b66-f9d424552da5
• Taxonomy: Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids
• IUPAC Name: 6-hydroxy-1,7-diphenylhept-4-en-3-one
• SMILES (Canonical): C1=CC=C(C=C1)CCC(=O)C=CC(CC2=CC=CC=C2)O
• SMILES (Isomeric): C1=CC=C(C=C1)CCC(=O)C=CC(CC2=CC=CC=C2)O
• InChI: InChI=1S/C19H20O2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,13-14,19,21H,11-12,15H2
• InChI Key: TYZZLIGGENRWEF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₂
• Molecular Weight: 280.40 g/mol
• Exact Mass: 280.146329876 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.40

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
CHEMBL2581	P07339	Cathepsin D	95.89%	98.95%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	92.89%	94.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.16%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.57%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.28%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	86.71%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.33%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.28%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.05%	95.50%
CHEMBL3902	P09211	Glutathione S-transferase Pi	82.62%	93.81%
CHEMBL1255126	O15151	Protein Mdm4	81.68%	90.20%
CHEMBL3401	O75469	Pregnane X receptor	81.67%	94.73%

Plants that contains it

• Alpinia officinarum

Cross-Links

• PubChem: 163014715
• LOTUS: LTS0264395
• wikiData: Q105267846