| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-04-28 20:34:40 UTC |
|---|
| Updated at | 2024-09-12 20:02:29 UTC |
|---|
| NP-MRD ID | NP0075273 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Dehydrorobustol A |
|---|
| Description | Dehydrorobustol A belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Dehydrorobustol A is found in Grevillea robusta and Grevillea robusta A.Cunn. Based on a literature review very few articles have been published on dehydrorobustol A. |
|---|
| Structure | [H]OC1=C([H])C2=C([H])C(OC3=C(O[H])C([H])=C(C([H])=C3O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=C1[H] InChI=1S/C26H34O4/c27-22-15-20-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-17-24(28)26(25(29)18-21)30-23(16-20)19-22/h1,3,15-19,27-29H,2,4-14H2/b3-1+ |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C26H34O4 |
|---|
| Average Mass | 410.5540 Da |
|---|
| Monoisotopic Mass | 410.24571 Da |
|---|
| IUPAC Name | 2-oxatricyclo[20.2.2.1^{3,7}]heptacosa-1(24),3,5,7(27),13,22,25-heptaene-5,24,25-triol |
|---|
| Traditional Name | 2-oxatricyclo[20.2.2.1^{3,7}]heptacosa-1(24),3,5,7(27),13,22,25-heptaene-5,24,25-triol |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H]OC1=C([H])C2=C([H])C(OC3=C(O[H])C([H])=C(C([H])=C3O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=C1[H] |
|---|
| InChI Identifier | InChI=1S/C26H34O4/c27-22-15-20-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-17-24(28)26(25(29)18-21)30-23(16-20)19-22/h1,3,15-19,27-29H,2,4-14H2/b3-1+ |
|---|
| InChI Key | LWPGCSYZHNHGJW-HNQUOIGGSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | | Species Name | Source | Reference |
|---|
| Grevillea robusta | LOTUS Database | | | Grevillea robusta A.Cunn | Plant | |
|
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lignans, neolignans and related compounds |
|---|
| Class | Not Available |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Lignans, neolignans and related compounds |
|---|
| Alternative Parents | |
|---|
| Substituents | - Oxyneolignan skeleton
- Diaryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic 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 | |
|---|
