Compound: Acetovanillone
SMILES: O=C(c1cc(OC)c(O)cc1)C
InChIKey: DFYRUELUNQRZTB-UHFFFAOYSA-N
Synonyms: Acetovanillone, apocynin, 498-02-2, 4'-Hydroxy-3'-methoxyacetophenone, 1-(4-Hydroxy-3-methoxyphenyl)ethanone, Acetoguaiacone, Apocynine, 4-Acetyl-2-methoxyphenol, Acetoguaiacon, Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-, 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one, 4-Hydroxy-3-methoxyphenyl methyl ketone, B6J7B9UDTR, NSC-209524, DTXSID7060097, CHEBI:2781, RefChem:552432, DTXCID1040740, 207-854-5, 4-HYDROXY-3-METHOXYACETOPHENONE, Acetovanilone, Acetovanyllon, 3-Methoxy-4-hydroxyacetophenone, Acetophenone, 4'-hydroxy-3'-methoxy-, NSC 209524, 2-methoxy-4-acetylphenol, 3-Metoksy-4-hydroksyacetofenon, Acetovanillon, MFCD00008747, 1-(4-hydroxy-3-methoxy-phenyl)ethanone, 1-(4-hydroxy-3-methoxy-phenyl)-ethanone, 1-(4-Hydroxy-3-methoxyphenyl)-1-ethanone, WLN: 1VR DQ CO1, F2191-0004, 1-acetyl-4-hydroxy-3-methoxybenzene, 4-Acetylguaiacol, EINECS 207-854-5, BRN 0637373, CCRIS 7285, UNII-B6J7B9UDTR, 3-Metoksy-4-hydroksyacetofenon [Polish], AI3-15892, I75, Apocynin (Standard), APOCYNIN [MI], apocynin (acetovanillone), 16522-48-8, bmse000584, bmse010031, Phenol, 4-acetyl-2-methoxy, 4-08-00-01814 (Beilstein Handbook Reference), MLS001304972, SCHEMBL109514, 4-hydroxy3-methoxyacetophenone, 4hydroxy-3-methoxyacetophenone, Acetovanillone, >=98%, FG, CHEMBL346919, orb1300809, orb3139207, SCHEMBL4438220, SCHEMBL29364797, HY-N0088R, 4-hydroxy -3-methoxyacetophenone, 4-hydroxy-3-methoxy-acetophenone, MSK1639, NSC2146, Acetovanillone, analytical standard, HMS3651H03, 3'-Methoxy-4'-hydroxyacetophenone, SMSSF-0439476, HY-N0088, NSC-2146, STR03975, BBL009710, EBC-12677, NSC209524, s2425, SBB008060, STL141075, ZINC00162515, AKOS000120562, 4-Hydroxy-3-methoxyphenyl methyl keton, CCG-266327, CS-5647, DB12618, FA17954, FS-3673, 1-(4-hydroxy-3-methoxyphenyl)-ethanone, NCGC00247065-01, 4'-Hydroxy-3'-methoxyacetophenone, 98%, AC-29981, SMR000752909, H0261, NS00006260, ST50213415, SW219526-1, EN300-18156, D70564, AA-504/20839006, F227636, Q414754, BRD-K64990520-001-08-4, Z57234303, ACETOPHENONE,4-HYDROXY,3-METHOXY   ACETOVANILLON, Acetovanillone;Apocynin?5-Acetyl-2-hydroxyanisole;*?1-(4-Hydroxy-3-methoxyphenyl)-ethanone, InChI=1/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H
Theoretical properties:
molecular_formula: C9H10O3
molecular_weight: 166.17 g/mol
exact_mass: 166.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Apocynin is an aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a peripheral nervous system drug, an EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor and a plant metabolite. It is a member of acetophenones, a methyl ketone and an aromatic ketone.
chebi: An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3.
chembl: APOCYNIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: Apocynin, also known as acetovanillone, is a natural organic compound structurally related to vanillin.  It has been isolated from a variety of plant sources and is being studied for its variety of pharmacological properties.