1-(4-Hydroxy-3-methoxyphenyl)dodec-7-en-3-one

Details

• Internal ID: 19da52b1-9d72-446f-8945-96f52b3e5fe8
• Taxonomy: Benzenoids > Phenols > Methoxyphenols > Paradols
• IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)dodec-7-en-3-one
• SMILES (Canonical): CCCCC=CCCCC(=O)CCC1=CC(=C(C=C1)O)OC
• SMILES (Isomeric): CCCCC=CCCCC(=O)CCC1=CC(=C(C=C1)O)OC
• InChI: InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h6-7,12,14-15,21H,3-5,8-11,13H2,1-2H3
• InChI Key: YFYHRFJWVLJVSN-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.40 g/mol
• Exact Mass: 304.20384475 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 4.00

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
CHEMBL3060	Q9Y345	Glycine transporter 2	98.56%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.60%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.81%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.51%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.97%	92.08%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.11%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.10%	94.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	88.69%	96.95%
CHEMBL2535	P11166	Glucose transporter	87.95%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	86.31%	90.20%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	85.02%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.92%	95.56%

Plants that contains it

• Zingiber officinale

Cross-Links

• PubChem: 85990896
• LOTUS: LTS0257202
• wikiData: Q105347904