| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-09-12 06:58:25 UTC |
|---|
| Updated at | 2022-09-12 06:58:25 UTC |
|---|
| NP-MRD ID | NP0325875 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | (2r)-2-hydroxy-3-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate |
|---|
| 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. |
|---|
| 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 |
|---|
| Synonyms | | Value | Source |
|---|
| (2R)-2-Hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | Generator |
|
|---|
| Chemical Formula | C22H22O8 |
|---|
| Average Mass | 414.4100 Da |
|---|
| Monoisotopic Mass | 414.13147 Da |
|---|
| IUPAC Name | (2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate |
|---|
| Traditional Name | (2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | COC1=CC(\C=C\C(=O)OC[C@H](O)COC(=O)\C=C\C2=CC=C(O)C=C2)=CC=C1O |
|---|
| 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 |
|---|
| InChI Key | GRWHNBXHXKFRHQ-QAYXMUEYSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Phenylpropanoids and polyketides |
|---|
| Class | Cinnamic acids and derivatives |
|---|
| Sub Class | Hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | Coumaric acid esters |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aromatic homomonocyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|