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1-(2-Naphthyl)-3-phenylprop-2-en-1-one , CAS No.53744-34-6

COA COA
In stock
Item Number
N668923
Grouped product items
SKU Size
Availability
 Price Qty
N668923-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
N668923-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms 1-(2-naphthyl)-3-phenylprop-2-en-1-one | (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one | MLS002608183 | trans-1-(2-naphthyl)-3-phenyl-2-propen-1-one | 1-(naphthalen-2-yl)-3-phenylprop-2-en-1-one | NSC39802 | DTXSID101241048 | HMS3078B24 | BDBM50435423 | M

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Linear 1,3-diarylpropanoids
Subclass Chalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct Parent Retrochalcones
Alternative Parents Naphthalenes  Styrenes  Aryl ketones  Enones  Acryloyl compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homopolycyclic compounds
Substituents Retrochalcone - Naphthalene - Aryl ketone - Styrene - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors Not available

Product Properties

ALogP 4.3

Associated Targets(Human)

CYP1B1 Tchem Cytochrome P450 1B1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCRF-CEM (65223 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IMR-32 (1082 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OVCAR (348 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEp-2 (3859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L1210 (27553 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Vero (26788 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Phosphotyrosine-protein phosphatase PTPB (308 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ptpA Probable low molecular weight protein-tyrosine-phosphatase (435 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
yopH Tyrosine-protein phosphatase yopH (49 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one
INCHI InChI=1S/C19H14O/c20-19(13-10-15-6-2-1-3-7-15)18-12-11-16-8-4-5-9-17(16)14-18/h1-14H/b13-10+
InChIKey DAJQCRGTLOLIJQ-JLHYYAGUSA-N
Smiles C1=CC=C(C=C1)C=CC(=O)C2=CC3=CC=CC=C3C=C2
Isomeric SMILES C1=CC=C(C=C1)/C=C/C(=O)C2=CC3=CC=CC=C3C=C2
PubChem CID 5355551
Molecular Weight 258.3

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 258.300 g/mol
XLogP3 4.300
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 258.104 Da
Monoisotopic Mass 258.104 Da
Topological Polar Surface Area 17.100 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 351.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

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