Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 06:35:23 UTC |
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Updated at | 2022-09-12 06:35:23 UTC |
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NP-MRD ID | NP0325667 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-[(1e)-2-[3-hydroxy-4-(2-hydroxyethyl)-5-methoxyphenyl]ethenyl]benzene-1,3-diol |
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Description | Gramistilbenoid B belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 5-[(1e)-2-[3-hydroxy-4-(2-hydroxyethyl)-5-methoxyphenyl]ethenyl]benzene-1,3-diol is found in Arundina graminifolia. It was first documented in 2022 (PMID: 36130816). Based on a literature review a significant number of articles have been published on Gramistilbenoid B (PMID: 36130676) (PMID: 36130776) (PMID: 36130755) (PMID: 36130745). |
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Structure | COC1=CC(\C=C\C2=CC(O)=CC(O)=C2)=CC(O)=C1CCO InChI=1S/C17H18O5/c1-22-17-9-12(8-16(21)15(17)4-5-18)3-2-11-6-13(19)10-14(20)7-11/h2-3,6-10,18-21H,4-5H2,1H3/b3-2+ |
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Synonyms | Not Available |
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Chemical Formula | C17H18O5 |
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Average Mass | 302.3260 Da |
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Monoisotopic Mass | 302.11542 Da |
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IUPAC Name | 5-[(E)-2-[3-hydroxy-4-(2-hydroxyethyl)-5-methoxyphenyl]ethenyl]benzene-1,3-diol |
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Traditional Name | 5-[(E)-2-[3-hydroxy-4-(2-hydroxyethyl)-5-methoxyphenyl]ethenyl]benzene-1,3-diol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(\C=C\C2=CC(O)=CC(O)=C2)=CC(O)=C1CCO |
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InChI Identifier | InChI=1S/C17H18O5/c1-22-17-9-12(8-16(21)15(17)4-5-18)3-2-11-6-13(19)10-14(20)7-11/h2-3,6-10,18-21H,4-5H2,1H3/b3-2+ |
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InChI Key | ALEUEDXIZPZRRD-NSCUHMNNSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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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 |
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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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Stilbenes |
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Sub Class | Not Available |
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Direct Parent | Stilbenes |
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Alternative Parents | |
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Substituents | - Stilbene
- Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Styrene
- Resorcinol
- Phenol ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Ether
- Alcohol
- Primary alcohol
- Hydrocarbon derivative
- 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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General References | - Thakkar SV, Rodrigues D, Zhai B, Banton D, Somani S, Javidi A, Mahan A, Ember S, DeGrazio D, Ganguly S, Amin K, Nanda H: Residue-Specific Impact of EDTA and Methionine on Protein Oxidation in Biotherapeutics Formulations Using an Integrated Biotherapeutics Drug Product Development Workflow. J Pharm Sci. 2022 Sep 18. pii: S0022-3549(22)00411-7. doi: 10.1016/j.xphs.2022.09.011. [PubMed:36130676 ]
- Ghoraba HH, Matsumiya W, Or C, Khojasteh H, Patel P, Karaca I, Regenold J, Zaidi M, Hwang J, Lajevardi S, Yavari N, Than NTT, Park SW, Akhavanrezayat A, Uludag G, Yasar C, Leung LB, Nguyen QD: Electroretinographic findings in retinal vasculitis. Br J Ophthalmol. 2022 Sep 21. pii: bjo-2022-321716. doi: 10.1136/bjo-2022-321716. [PubMed:36130816 ]
- Daniels B, Spooner E, Coutsoudis A: Getting to under 1% vertical HIV transmission: lessons from a breastfeeding cohort in South Africa. BMJ Glob Health. 2022 Sep;7(9). pii: bmjgh-2022-009927. doi: 10.1136/bmjgh-2022-009927. [PubMed:36130776 ]
- Dirikgil E, van Leeuwen JR, Bredewold OW, Ray A, Jonker JT, Soonawala D, Remmelts HHF, van Dam B, Bos WJ, van Kooten C, Rotmans J, Rabelink T, Teng YKO: ExploriNg DUrable Remission with Rituximab in ANCA-associatEd vasculitis (ENDURRANCE trial): protocol for a randomised controlled trial. BMJ Open. 2022 Sep 21;12(9):e061339. doi: 10.1136/bmjopen-2022-061339. [PubMed:36130755 ]
- Hewson DW, Nightingale J, Ogollah R, Ollivere BJ, Costa ML, Craxford S, Bates P, Bedforth NM: Erector Spinae Plane Blocks for the Early Analgesia of Rib Fractures in Trauma (ESPEAR): protocol for a multicentre pilot randomised controlled trial with feasibility and embedded qualitative assessment. BMJ Open. 2022 Sep 21;12(9):e062935. doi: 10.1136/bmjopen-2022-062935. [PubMed:36130745 ]
- LOTUS database [Link]
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