Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-12 04:06:01 UTC |
---|
Updated at | 2022-09-12 04:06:01 UTC |
---|
NP-MRD ID | NP0324183 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | (+)-(7s,8s)-guaiacylglycerol |
---|
Description | (+)-(7S,8S)-guaiacylglycerol belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety (+)-(7S,8S)-guaiacylglycerol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (+)-(7s,8s)-guaiacylglycerol is found in Bambusa emeiensis, Juniperus communis, Miliusa balansae, Soymida febrifuga and Tarenna attenuata. It was first documented in 2002 (PMID: 31593387). Based on a literature review a significant number of articles have been published on (+)-(7S,8S)-guaiacylglycerol (PMID: 20450044) (PMID: 26625840) (PMID: 23845552) (PMID: 18720448). |
---|
Structure | COC1=CC(=CC=C1O)[C@H](O)[C@@H](O)CO InChI=1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3/t8-,10-/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C10H14O5 |
---|
Average Mass | 214.2170 Da |
---|
Monoisotopic Mass | 214.08412 Da |
---|
IUPAC Name | (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol |
---|
Traditional Name | (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(=CC=C1O)[C@H](O)[C@@H](O)CO |
---|
InChI Identifier | InChI=1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3/t8-,10-/m0/s1 |
---|
InChI Key | LSKFUSLVUZISST-WPRPVWTQSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
---|
Kingdom | Organic compounds |
---|
Super Class | Benzenoids |
---|
Class | Phenols |
---|
Sub Class | Methoxyphenols |
---|
Direct Parent | Methoxyphenols |
---|
Alternative Parents | |
---|
Substituents | - Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Sugar alcohol
- Secondary alcohol
- Ether
- Polyol
- Primary alcohol
- Alcohol
- Aromatic alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxygen compound
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | |
---|
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 | |
---|
General References | - Gan M, Zhu C, Zhang Y, Zi J, Song W, Yang Y, Shi J: [Constituents from a water-soluble portion of ethanolic extract of Iodes cirrhosa]. Zhongguo Zhong Yao Za Zhi. 2010 Feb;35(4):456-67. [PubMed:20450044 ]
- Authors unspecified: Childhood Esophageal Cancer Treatment (PDQ(R)): Health Professional Version. 2002. [PubMed:31593387 ]
- Zhang CL, Wang Y, Liu YF, Liang D, Hao ZY, Luo H, Chen RY, Yu DQ: Lignans from the rhizomes of Iris tectorum. Fitoterapia. 2016 Jan;108:93-7. doi: 10.1016/j.fitote.2015.11.020. Epub 2015 Nov 26. [PubMed:26625840 ]
- Li LZ, Peng Y, Niu C, Gao PY, Huang XX, Mao XL, Song SJ: Isolation of cytotoxic compounds from the seeds of Crataegus pinnatifida. Chin J Nat Med. 2013 Jul;11(4):411-4. doi: 10.1016/S1875-5364(13)60061-8. [PubMed:23845552 ]
- Machida K, Sakamoto S, Kikuchi M: Structure elucidation and NMR spectral assignments of four neolignan glycosides with enantiometric aglycones from Osmanthus ilicifolius. Magn Reson Chem. 2008 Oct;46(10):990-4. doi: 10.1002/mrc.2292. [PubMed:18720448 ]
- LOTUS database [Link]
|
---|