Compound: Acetosyringone
SMILES: O=C(c1cc(OC)c(O)c(c1)OC)C
InChIKey: OJOBTAOGJIWAGB-UHFFFAOYSA-N
Synonyms: Acetosyringone, 2478-38-8, 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone, 4'-HYDROXY-3',5'-DIMETHOXYACETOPHENONE, Acetosyringenin, 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one, 866P45Y84S, CHEBI:2404, DTXSID2062454, RefChem:552431, DTXCID1037147, 219-610-5, 3',5'-Dimethoxy-4'-hydroxyacetophenone, Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-, 3,5-Dimethoxy-4-hydroxyacetophenone, Acetosyringon, MFCD00008748, Acetophenone, 4'-hydroxy-3',5'-dimethoxy-, 4-hydroxy-3,5-dimethoxyacetophenone, 4-Hydroksy-3',5'-dwumetoksyacetofenon, Acetophenone, 3,5-dimethoxy-4-hydroxy-, 4-Hydroxy-3,5-dimethoxyacetophennone, 4-acetylsyringol, 1-acetyl-4-hydroxy-3,5-dimethoxybenzene, CCRIS 7286, EINECS 219-610-5, BRN 1966119, UNII-866P45Y84S, 4-Hydroksy-3',5'-dwumetoksyacetofenon [Polish], Spectrum_001915, SpecPlus_000955, Spectrum2_000429, Spectrum3_001115, Spectrum4_001953, Spectrum5_000695, 1-(4-hydroxy-3,5-dimethoxy-phenyl)ethanone, bmse000576, bmse010032, 1-(4-Hydroxy-3,5-dimethoxy-phenyl)-ethanone, SCHEMBL15511, BSPBio_002850, KBioGR_002389, KBioSS_002457, SPECTRUM300610, MLS002207209, DivK1c_007051, 4-acetyl-2,6-dimethoxyphenol, SPBio_000418, CHEMBL224146, orb1301663, KBio1_001995, KBio2_002450, KBio2_005018, KBio2_007586, KBio3_002070, Phenol, 4-acetyl-2,6-dimethoxy, BBL101364, CCG-39967, EBC-47306, MSK159295, s4955, SBB071453, STL555160, 3,5-dimethoxy-4-hydroxy-acetophenone, AKOS005258861, CS-W010600, FD16078, HY-W009884, SDCCGMLS-0066948.P001, NCGC00095819-01, NCGC00095819-02, 3', 5'-dimethoxy-4'-hydroxyacetophenone, MS-20205, SMR000112388, ST093688, SY049152, DB-022069, 1-(4-hydroxy-3,5-dimethoxyphenyl)-ethanone, D2666, ethanone, 1-[4-hydroxy-3,5-dimethoxyphenyl, NS00010763, 3',5'-Dimethoxy-4'-hydroxyacetophenone, 97%, 4'-Hydroxy-3',5'-dimethoxyacetophenone, 97%, EN300-112111, F20446, 3',5'-DIMETHOXY-4'-HYDROXY-ACETOPHENONE, F218999, Q906309, SR-05000002436, A1-00327, SR-05000002436-1, BRD-K66643401-001-02-4, BRD-K66643401-001-04-0, Z1255450019, 3 inverted exclamation marka,5 inverted exclamation marka-Dimethoxy-4 inverted exclamation marka-hydroxyacetophenone, 4 inverted exclamation mark -Hydroxy-3 inverted exclamation mark ,5 inverted exclamation mark -dimethoxyacetophenone, 4 inverted exclamation marka-Hydroxy-3 inverted exclamation marka,5 inverted exclamation marka-dimethoxyacetophenone, InChI=1/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H
Theoretical properties:
molecular_formula: C10H12O4
molecular_weight: 196.20 g/mol
exact_mass: 196.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 14
topological_polar_surface_area: 55.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Acetosyringone is a member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a peripheral nervous system drug, an anti-asthmatic drug and a plant metabolite. It is a member of acetophenones, a member of phenols and a dimethoxybenzene.
chebi: A member of the class of  acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.
chembl: ACETOSYRINGONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Acetosyringone is a phenolic natural product and a chemical compound related to acetophenone and 2,6-dimethoxyphenol. It was first described in relation to lignan/phenylpropanoid-type phytochemicals, with isolation from a variety of plant sources, in particular, in relation to wounding and other physiologic changes.