2-(6-Methoxy-2-naphthyl)propionic acid

Details

• Internal ID: 0541851e-03cf-4f9b-9bdd-52664968d198
• Taxonomy: Benzenoids > Naphthalenes
• IUPAC Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid
• SMILES (Canonical): CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
• SMILES (Isomeric): CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
• InChI: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
• InChI Key: CMWTZPSULFXXJA-UHFFFAOYSA-N
• Popularity: 185 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₄O₃
• Molecular Weight: 230.26 g/mol
• Exact Mass: 230.094294304 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 3.30

Synonyms

• 2-(6-methoxynaphthalen-2-yl)propanoic acid
• DL-Naproxen
• 2-(6-Methoxy-2-naphthyl)propionic acid
• (+/-)-2-(6-Methoxy-2-naphthyl)propionic Acid
• Racemic Naproxen
• 2-(6-Methoxy-2-naphthyl)propanoic acid
• 26159-31-9
• rac-naproxen
• (RS)-Naproxen
• Naproxen (racemic)
• rac Naproxen-13C,d3
• MFCD00439456
• ( inverted exclamation markA)-Naproxen
• 2-(6-Methoxy-naphthalen-2-yl)-propionic acid
• (+/-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic Acid
• SMR001233475
• rac Naproxen
• EINECS 245-969-2
• 6-methoxy-alpha-methyl-2-naphthaleneacetic acid
• alpha-(6-Methoxy-2-naphthyl)propionic acid
• Prestwick3_000045
• Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid
• (+-)-2-(6-methoxy-2-naphthyl)propionic acid
• 2-(6-Methoxy-naphthalen-2-yl)-propionic acid(Naproxen)
• EC 247-485-7
• Oprea1_018821
• BSPBio_000169
• 2-naphthaleneacetic acid, 6-methoxy-alpha-methyl-
• MLS002154184
• MLS006011863
• CHEMBL12952
• SCHEMBL145769
• BPBio1_000187
• SCHEMBL10029028
• CHEBI:91939
• DTXSID70860274
• HMS2095I11
• HMS2230K21
• HMS3374N03
• HMS3712I11
• BDBM50009860
• AKOS000121315
• AKOS016038194
• CCG-220045
• CS-W009085
• 2-(6-methoxy-2-naphtyl)propionic acid
• NCGC00021127-02
• NCGC00021127-03
• NCGC00021127-04
• NCGC00021127-05
• NCGC00094733-01
• NCGC00094733-02
• NCGC00094733-03
• 2-(6-methoxy-2-naphthyl)-propionic acid
• 2-(6-methoxynaphth-2-yl)-propionic acid
• AC-25684
• AS-47598
• HY-15029
• SY051309
• 2-(6-methoxynaphthalen-2-yl)propanoicacid
• 2-(6-methoxy-2-naphthalenyl)propanoic acid
• 6-methoxy-2naphthyl-alpha-methylacetic acid
• 6-methoxy-2-naphthyl-alpha-methylacetic acid
• 6-methoxy-alpha-methyl-2-naphthylacetic acid
• AB00513799
• FT-0602835
• FT-0605171
• FT-0638374
• M1220
• (+)2-(6-methoxy-2-naphthyl) propionic acid
• EN300-21613
• 6-methoxy-alpha-methyl-2-naphthalenacetic acid
• 6-Methoxy-alpha-methyl-2-naphthaleneessigsaure
• F14583
• (+)-alpha-(6-methoxy-2-naphthyl)propionic acid
• racemic 2-(6-methoxy-2-naphthyl)propionic acid
• (+)-alpha-methyl-6-methoxy-2-naphthylacetic acid
• (+/-)-2-(6-methoxy-2-naphthyl) propionic acid
• (RS)-2-(6-methoxynaphthalen-2-yl)propanoic acid
• 2-(6-Methoxy-2-naphthyl)propanoic acid, AldrichCPR
• Q-201030
• BRD-A87719232-001-02-4
• Q27163737
• Z104505002
• MSNT?1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole

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
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	180 nM; 50 nM	IC50; IC50	via Super-PRED; via Super-PRED
CHEMBL221	P23219	Cyclooxygenase-1	211 nM	IC50	via Super-PRED
CHEMBL230	P35354	Cyclooxygenase-2	280 nM	IC50	via Super-PRED
CHEMBL1963	P16473	Thyroid stimulating hormone receptor	794.3 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.25%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.79%	91.11%
CHEMBL4208	P20618	Proteasome component C5	92.77%	90.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.31%	96.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.68%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.40%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.76%	99.17%
CHEMBL2581	P07339	Cathepsin D	88.44%	98.95%
CHEMBL1907	P15144	Aminopeptidase N	86.70%	93.31%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.22%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.29%	95.50%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	81.24%	94.08%
CHEMBL2535	P11166	Glucose transporter	81.23%	98.75%

Plants that contains it

• Musa acuminata

Cross-Links

• PubChem: 1302
• LOTUS: LTS0259048
• wikiData: Q27163737