Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 06:58:25 UTC |
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Updated at | 2022-09-12 06:58:25 UTC |
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NP-MRD ID | NP0325875 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r)-2-hydroxy-3-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate |
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Description | (2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. (2r)-2-hydroxy-3-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate is found in Asparagus officinalis, Lilium hansonii, Lilium henryi and Lilium speciosum. Based on a literature review very few articles have been published on (2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. |
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Structure | COC1=CC(\C=C\C(=O)OC[C@H](O)COC(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O InChI=1S/C22H22O8/c1-28-20-12-16(4-9-19(20)25)6-11-22(27)30-14-18(24)13-29-21(26)10-5-15-2-7-17(23)8-3-15/h2-12,18,23-25H,13-14H2,1H3/b10-5+,11-6+/t18-/m1/s1 |
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Synonyms | Value | Source |
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(2R)-2-Hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | Generator |
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Chemical Formula | C22H22O8 |
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Average Mass | 414.4100 Da |
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Monoisotopic Mass | 414.13147 Da |
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IUPAC Name | (2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate |
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Traditional Name | (2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(\C=C\C(=O)OC[C@H](O)COC(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O |
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InChI Identifier | InChI=1S/C22H22O8/c1-28-20-12-16(4-9-19(20)25)6-11-22(27)30-14-18(24)13-29-21(26)10-5-15-2-7-17(23)8-3-15/h2-12,18,23-25H,13-14H2,1H3/b10-5+,11-6+/t18-/m1/s1 |
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InChI Key | GRWHNBXHXKFRHQ-QAYXMUEYSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. |
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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 | Coumaric acid esters |
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Alternative Parents | |
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Substituents | - Coumaric acid ester
- Cinnamic acid ester
- Coumaric acid or derivatives
- Diradylglycerol
- Diacylglycerol
- Methoxyphenol
- 1,3-acyl-sn-glycerol
- Anisole
- Methoxybenzene
- Phenoxy compound
- Phenol ether
- Styrene
- Alkyl aryl ether
- Phenol
- Fatty acid ester
- Glycerolipid
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Dicarboxylic acid or derivatives
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Secondary alcohol
- Carboxylic acid derivative
- Ether
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- 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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