| Phytochemical Name : Xanthoxylin |
| PCNDIDX0011 |
| Pubchem CID : 66654 |
| Molecular formula: C10H12O4 |
| Canonical SMILES : CC(=O)C1=C(C=C(C=C1OC)OC)O |
Synonymes : Xanthoxylin|90-24-4|2'-Hydroxy-4',6'-dimethoxyacetophenone|Xanthoxyline|Brevifolin|1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone|2-Hydroxy-4,6-dimethoxyacetophenone|Brevifolin (Zanthoxylum)|1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one|2,4-Di-O-methylphloroacetophenone|Phloracetophenone dimethyl ether|Phloroacetophenone 2,4-dimethyl ether|Brevifolin (VAN)|4',6'-dimethoxy-2'-hydroxyacetophenone|4,6-Dimethoxy-2-hydroxyacetophenone|Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-|1-Acetyl-2-hydroxy-4,6-dimethoxybenzene|Acetophenone der.|UNII-Z8RSY5TZPA|Z8RSY5TZPA|MFCD00017243|NSC 17392|2-Acetyl-3,5-dimethoxyphenol|1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone|Acetophenone, 2'-hydroxy-4',6'-dimethoxy-|CHEBI:10070|EINECS 201-978-3|NSC-17392|2-Hydroxyl-4,6-dimethoxy-acetophenone|AI3-26010|Ethanone,1-(2-hydroxy-4,6-dimethoxyphenyl)-|6-Methoxypaeonol|Spectrum_000577|SpecPlus_000713|XANTHOXYLIN [MI]|Spectrum2_000463|Spectrum3_000181|Spectrum4_001499|Spectrum5_000237|Acetophenone,6'-dimethoxy-|SCHEMBL44708|BSPBio_001701|KBioGR_002137|KBioSS_001057|SPECTRUM200441|MLS002207182|DivK1c_006809|XANTHOXYLINE [WHO-DD]|SPBio_000566|CHEMBL450288|KBio1_001753|KBio2_001057|KBio2_003625|KBio2_006193|KBio3_001201|DTXSID10237981|HY-N1063|NSC17392|CCG-38702|s4781|2-Hydroxy-4, 6-dimethoxyacetophenone|4, 6-Dimethoxy-2-hydroxyacetophenone|AKOS015856339|SDCCGMLS-0066937.P001|2'-hyroxy-4',6'-dimethoxyacetophenone|PHLOROACETOPHENONE DIMETHYL ETHER|NCGC00095824-01|NCGC00095824-02|AC-35124|AS-40799|SMR001306755|SY048579|2'-Hydroxy-4',6'-dimethoxy-Acetophenone|(2-hydroxy-4,6-dimethoxy-phenyl)-ethanone|1-(2-hydroxy-4,6-dimethoxyphenyl)-ethanone|1-(2-Hydroxy-4,6-dimethylphenyl)-ethanone|CS-0016347|D2683|FT-0612544|1-(2-hydroxy-4,6-dimethoxyphenyl)ethan-1-on|1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone #|2'-Hydroxy-4',6'-dimethoxyacetophenone, 97%|2',4'-DIMETHOXY-6'-HYDROXYACETOPHENONE|EN300-6477862|A843476|AQ-358/42007313|SR-05000002434|2''-HYDROXY-4'',6''-DIMETHOXYACETOPHENONE|Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI)|SR-05000002434-1|BRD-K12260308-001-02-6|BRD-K12260308-001-04-2|Q18210424|Z1255434817|2 inverted exclamation mark -Hydroxy-4 inverted exclamation mark ,6 inverted exclamation mark -dimethoxyacetophenone |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.610 |
| Log Po/w (XLOGP3) : 1.740 |
| Log Po/w (WLOGP) : 1.610 |
| Log Po/w (MLOGP) : 0.550 |
| Log Po/w (SILICOS-IT) : 1.720 |
| Consensus Log Po/w : 1.450 |

