| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:58 UTC |
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| Update date | 2017-01-19 02:36:26 UTC |
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| FoodComEx ID | PC000499 |
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| FoodDB Record | FDB000938 |
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| Chemical Information |
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| Name | 3-(1H-Indol-3-yl)-2-propenoic acid |
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| Description | Major auxin from roots of Lens culinaris (lentil)
A natural auxin from lentil roots. Inhibits the growth of mycelia of Neurospora crassa and causes the cells to accumulate indoleglycerol phosphate. 3-(1H-Indol-3-yl)-2-propenoic acid is found in lentils and pulses. |
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| CAS Number | 1204-06-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1H-Indole-3-propenoic acid | db_source | | 2-Propenoic acid, 3-(1-H-indol-3-yl) | biospider | | 2-Propenoic acid, 3-(1H-indol-3-yl)- | biospider | | 3-(3-Indolyl)acrylic acid | db_source | | 3-(Indol-3-yl)acrylic acid | biospider | | 3-indoleacrylate | biospider | | 3-indoleacrylic acid | biospider | | 3-Indolylacrylic acid | biospider | | Indole-3-acrylic acid | biospider | | Indole-3β-acrylic acid | biospider | | Indole-3beta-acrylic acid | biospider | | Indoleacrylate | biospider | | Indoleacrylic acid | biospider |
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| Chemical Formula | C11H9NO2 |
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| IUPAC name | (2Z)-3-(1H-indol-3-yl)prop-2-enoic acid |
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| InChI Identifier | InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5- |
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| InChI Key | PLVPPLCLBIEYEA-WAYWQWQTSA-N |
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| Isomeric SMILES | OC(=O)\C=C/C1=CNC2=C1C=CC=C2 |
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| Average Molecular Weight | 187.1947 |
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| Monoisotopic Molecular Weight | 187.063328537 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Indoles |
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| Direct Parent | Indoles |
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| Alternative Parents | |
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| Substituents | - Indole
- Substituted pyrrole
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | 180 - 186 oC | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 300 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
