Record Information |
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Version | 2.0 |
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Created at | 2024-09-11 21:57:28 UTC |
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Updated at | 2024-09-11 21:57:28 UTC |
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NP-MRD ID | NP0339459 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid |
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Description | 4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. 4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | OC(CCC(O)=O)CC1=CC=C(O)C(O)=C1 InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16) |
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Synonyms | Value | Source |
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4-Hydroxy-(3',4'-dihydroxyphenyl)-valerate | Generator | 4-Hydroxy-5-(3,4-dihydroxyphenyl)valerate | Generator | 4-hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid | | 4-hydroxy-5-(3,4-dihydroxyphenyl)pentanoic acid | | 4-hydroxy-5-(3,4-dihydroxyphenyl)valeric acid | | 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid | | 5-(3,4-dihydroxyphenyl)-4-hydroxyvaleric acid | |
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Chemical Formula | C11H14O5 |
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Average Mass | 226.2259 Da |
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Monoisotopic Mass | 226.08412 Da |
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IUPAC Name | 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid |
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Traditional Name | 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid |
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CAS Registry Number | Not Available |
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SMILES | OC(CCC(O)=O)CC1=CC=C(O)C(O)=C1 |
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InChI Identifier | InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16) |
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InChI Key | JDBYFCLHVYVXCX-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Hydroxy acids and derivatives |
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Sub Class | Medium-chain hydroxy acids and derivatives |
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Direct Parent | Medium-chain hydroxy acids and derivatives |
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Alternative Parents | |
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Substituents | - Medium-chain hydroxy acid
- Catechol
- Medium-chain fatty acid
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Hydroxy fatty acid
- Phenol
- Monocyclic benzene moiety
- Fatty acyl
- Fatty acid
- Benzenoid
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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