| Identification |
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| Common Name | Metochalcone |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Trimethoxychalcone | MeSH | | 4-Methoxyphenyl- 3-(2,4-dimethoxyphenyl)-1-oxo-2-propene | MeSH |
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| Chemical Formula | C18H18O4 |
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| Average Molecular Mass | 298.338 g/mol |
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| Monoisotopic Mass | 298.121 g/mol |
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| CAS Registry Number | 18493-30-6 |
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| IUPAC Name | 1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
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| Traditional Name | 1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
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| SMILES | COC1=CC=C(C=CC(=O)C2=CC=C(OC)C=C2OC)C=C1 |
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| InChI Identifier | InChI=1S/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3 |
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| InChI Key | HVAKUYCEWDPRCA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Linear 1,3-diarylpropanoids |
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| Sub Class | Not Available |
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| Direct Parent | Linear 1,3-diarylpropanoids |
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| Alternative Parents | |
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| Substituents | - Linear 1,3-diarylpropanoid
- Dimethoxybenzene
- M-dimethoxybenzene
- Anisole
- Benzoyl
- Phenol ether
- Styrene
- Phenoxy compound
- Aryl ketone
- Methoxybenzene
- Alkyl aryl ether
- Monocyclic benzene moiety
- Benzenoid
- Acryloyl-group
- Alpha,beta-unsaturated ketone
- Enone
- Ketone
- Ether
- Organooxygen compound
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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