| Record Information |
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| Version | 1.0 |
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| Created at | 2022-07-15 01:14:45 UTC |
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| Updated at | 2022-07-15 01:14:45 UTC |
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| CannabisDB ID | CDB006401 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-cis-Caffeoyltyramine |
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| Description | N-cis-Caffeoyltyramine, also known as trans-N-caffeoyltyramine, belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Based on a literature review a small amount of articles have been published on N-cis-Caffeoyltyramine. |
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| Structure | |
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| Synonyms | | Value | Source |
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| N-Caffeoyltyramine | HMDB | | (2Z)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidate | HMDB | | cis-N-Caffeoyltyramine | HMDB | | (2Z)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-propenamide | HMDB |
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| Chemical Formula | C17H17NO4 |
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| Average Molecular Weight | 299.326 |
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| Monoisotopic Molecular Weight | 299.115758031 |
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| IUPAC Name | (2Z)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid |
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| Traditional Name | (2Z)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(=C(/[H])C1=CC(O)=C(O)C=C1)C(O)=NCCC1=CC=C(O)C=C1 |
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| InChI Identifier | InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4- |
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| InChI Key | VSHUQLRHTJOKTA-YWEYNIOJSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Cinnamic acids and derivatives |
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| Sub Class | Hydroxycinnamic acids and derivatives |
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| Direct Parent | Hydroxycinnamic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Cinnamic acid amide
- Hydroxycinnamic acid or derivatives
- Catechol
- Styrene
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Secondary carboxylic acid amide
- Carboxamide group
- Carboxylic acid derivative
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | 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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